Geometry & MOs

Info

ID:	83092
PubChem CID:	49857137
Reduced:	ClO3N5H18C23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	209.03559
ΔH_f, kcal/mol:	-31.54
Dipole, Da:	8.68
IP(EA), eV:	-9.27(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-7-chloro-3-methylquinazolin-4-one

Drug info:

PubChemData

Smile

CN1C=NC2=CC(=C(C=C2C1=O)C(=O)NC3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)Cl

DOS

IR

Vibrations