Geometry & MOs

Info

ID:	402887
PubChem CID:	135057702
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	250.110613
ΔH_f, kcal/mol:	-119.56
Dipole, Da:	3.11
IP(EA), eV:	-8.72(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethyl-2-phenyl-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=C(C2=CC=CC=C2N1C(=O)C)C

DOS

IR

Vibrations