Geometry & MOs

Info

ID:

302935

PubChem CID:

124403711

Reduced:

O3N4C25H26 (1)

Stoich.:

A3B4C25D26 (1)

Weight, g/mol:

497.231456

ΔHf, kcal/mol:

3.82

Dipole, Da:

6.25

IP(EA), eV:

 -8.28(-0.05)

Spin(Sz, 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]-4-methoxybenzamide

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)CC#N)/C1=CC2=C(C=C1)N[C@H]([C@@H]3[C@H]2C=CC3)C4=C(C(=CC=C4)OC)OC

DOS

IR

Vibrations