Geometry & MOs

Info

ID:	334765
PubChem CID:	127253440
Reduced:	N5O6C39H49 (1)
Stoich.:	A5B6C39D49 (1)
Weight, g/mol:	450.157957
ΔH_f, kcal/mol:	-123.33
Dipole, Da:	7.5
IP(EA), eV:	-8.52(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-indol-1-ylethyl)-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NCCCCCC1=NC2=CC=CC=C2N1)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations