Geometry & MOs

Info

ID:	334015
PubChem CID:	127252567
Reduced:	N5O6C37H47 (1)
Stoich.:	A5B6C37D47 (1)
Weight, g/mol:	440.173607
ΔH_f, kcal/mol:	-117.31
Dipole, Da:	8.64
IP(EA), eV:	-8.48(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-(dimethylamino)phenyl]methyl]-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)N1CCN(CC1)CC2=CN=CC=C2)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations