Geometry & MOs

Info

ID:	83386
PubChem CID:	49857525
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	174.079313
ΔH_f, kcal/mol:	-6.3
Dipole, Da:	3.97
IP(EA), eV:	-9.02(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethylquinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C#CC2=CC=NC=C2

DOS

IR

Vibrations