Geometry & MOs

Info

ID:	6974
PubChem CID:	70839
Reduced:	NO3H9C13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	227.058243
ΔH_f, kcal/mol:	14.95
Dipole, Da:	5.24
IP(EA), eV:	-10.33(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl)-phenylmethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations