Geometry & MOs

Info

ID:	336311
PubChem CID:	127255318
Reduced:	O3N5H13C15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	499.210721
ΔH_f, kcal/mol:	-2.68
Dipole, Da:	5.57
IP(EA), eV:	-8.94(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(4-propan-2-ylphenyl)propanamide

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)NC2=CC(=CC=C2)N3C=NN=C3

DOS

IR

Vibrations