Geometry & MOs

Info

ID:	53363
PubChem CID:	14710713
Reduced:	ClN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	304.017018
ΔH_f, kcal/mol:	-29.09
Dipole, Da:	4.98
IP(EA), eV:	-9.07(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-(4-chlorophenyl)-2-methylquinazolin-4-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C(C=C2)Cl)C(=O)N1C3=CC=C(C=C3)OC

DOS

IR

Vibrations