Geometry & MOs

Info

ID:	27780
PubChem CID:	823518
Reduced:	N3O3H9C14 (1)
Stoich.:	A3B3C9D14 (1)
Weight, g/mol:	301.025419
ΔH_f, kcal/mol:	28.57
Dipole, Da:	5.76
IP(EA), eV:	-9.59(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-4-nitrophenyl)quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations