Geometry & MOs

Info

ID:	335989
PubChem CID:	127254996
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	481.175004
ΔH_f, kcal/mol:	-82.04
Dipole, Da:	8.46
IP(EA), eV:	-8.53(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[2-[2-(hydroxymethyl)benzimidazol-1-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=C(C=C1)OC)NC(=O)NCCN2C=C(C3=CC=CC=C32)C(=O)C

DOS

IR

Vibrations