Geometry & MOs

Info

ID:	27779
PubChem CID:	823516
Reduced:	N2O2H12C15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	267.064391
ΔH_f, kcal/mol:	-7.37
Dipole, Da:	2.99
IP(EA), eV:	-8.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-nitrophenyl)quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C=NC3=CC=CC=C3C2=O

DOS

IR

Vibrations