Geometry & MOs

Info

ID:	308203
PubChem CID:	125317250
Reduced:	NO3C24H31 (1)
Stoich.:	AB3C24D31 (1)
Weight, g/mol:	381.230394
ΔH_f, kcal/mol:	-85.76
Dipole, Da:	5.21
IP(EA), eV:	-9.06(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aS,4aR,5R,8aR,9aR)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-8a-methylspiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one

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

C[C@]12CCC[C@@]3([C@@H]1C[C@@H]4[C@H](C2)OC(=O)[C@H]4CN5CCC6=CC=CC=C6C5)CO3

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

C[C@]12CCC[C@@]3([C@@H]1C[C@@H]4[C@H](C2)OC(=O)[C@H]4CN5CCC6=CC=CC=C6C5)CO3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):