Geometry & MOs

Info

ID:	169677
PubChem CID:	75135630
Reduced:	ClON3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	395.9858
ΔH_f, kcal/mol:	-3.92
Dipole, Da:	9.38
IP(EA), eV:	-9.36(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxo-6H-quinazolin-2-yl)-3-(2-nitrophenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C1CCC(C1)CNC2=CN=NC(=O)C2Cl

DOS

IR

Vibrations