Geometry & MOs

Info

ID:	302933
PubChem CID:	124403706
Reduced:	N3O4C30H31 (1)
Stoich.:	A3B4C30D31 (1)
Weight, g/mol:	527.242021
ΔH_f, kcal/mol:	-39.38
Dipole, Da:	3.86
IP(EA), eV:	-8.3(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-[(3aS,4R,9bR)-4-(2,3-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethylideneamino]-2-(2-methoxyphenoxy)acetamide

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(=N/NC(=O)COC1=CC=CC=C1)/C2=CC3=C(C=C2)N[C@H]([C@@H]4[C@H]3C=CC4)C5=C(C(=CC=C5)OC)OC

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(=N/NC(=O)COC1=CC=CC=C1)/C2=CC3=C(C=C2)N[C@H]([C@@H]4[C@H]3C=CC4)C5=C(C(=CC=C5)OC)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):