Geometry & MOs

Info

ID:	127698
PubChem CID:	51011923
Reduced:	SO4C16H17 (2)
Stoich.:	AB4C16D17 (2)
Weight, g/mol:	337.185335
ΔH_f, kcal/mol:	-220.89
Dipole, Da:	7.01
IP(EA), eV:	-7.58(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6R,7S,8S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]tricyclo[5.2.1.02,6]decan-8-amine

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC1=C2[C@@H]3C[C@H](C2=C(C4=CC5=CC=CC=C5C=C41)OC)[C@@H]6[C@H]3[C@@]7([C@@]6([C@@H]8C[C@H]7C=C8)COS(=O)(=O)C)COS(=O)(=O)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC1=C2[C@@H]3C[C@H](C2=C(C4=CC5=CC=CC=C5C=C41)OC)[C@@H]6[C@H]3[C@@]7([C@@]6([C@@H]8C[C@H]7C=C8)COS(=O)(=O)C)COS(=O)(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):