Geometry & MOs

Info

ID:	334049
PubChem CID:	127252601
Reduced:	ClN2O4C28H31 (1)
Stoich.:	AB2C4D28E31 (1)
Weight, g/mol:	458.220557
ΔH_f, kcal/mol:	-122.75
Dipole, Da:	4.8
IP(EA), eV:	-8.11(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)C[C@@H]5CCCN6[C@@H]5CCCC6)OC.Cl

DOS

IR

Vibrations