Geometry & MOs

Info

ID:	83093
PubChem CID:	49857138
Reduced:	ClON3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	433.130553
ΔH_f, kcal/mol:	-9.01
Dipole, Da:	1.76
IP(EA), eV:	-8.6(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(7-chloro-3-methyl-4-oxoquinazolin-6-yl)amino]methyl]-N-(pyridin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CN1C=NC2=CC(=C(C=C2C1=O)N)Cl

DOS

IR

Vibrations