Geometry & MOs

Info

ID:	336086
PubChem CID:	127255093
Reduced:	NOC12H14 (2)
Stoich.:	ABC12D14 (2)
Weight, g/mol:	478.164105
ΔH_f, kcal/mol:	-48.99
Dipole, Da:	2.82
IP(EA), eV:	-8.3(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)CN1C=C(C2=CC=CC=C21)CCNC(=O)CC3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations