Geometry & MOs

Info

ID:	335463
PubChem CID:	127254325
Reduced:	N2O2C11H11 (2)
Stoich.:	A2B2C11D11 (2)
Weight, g/mol:	494.206639
ΔH_f, kcal/mol:	-99.99
Dipole, Da:	3.65
IP(EA), eV:	-8.6(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC(CC2=O)C(=O)NCCN3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations