Geometry & MOs

Info

ID:	392451
PubChem CID:	135016455
Reduced:	NOH13C15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	269.080041
ΔH_f, kcal/mol:	10.43
Dipole, Da:	3.52
IP(EA), eV:	-8.39(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-nitro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations