Geometry & MOs

Info

ID:	13079
PubChem CID:	220849
Reduced:	NO3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	255.089543
ΔH_f, kcal/mol:	-9.5
Dipole, Da:	5.25
IP(EA), eV:	-9.74(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-nitrophenyl)phenyl]propan-2-one

Drug info:

PubChemData

Smile

CC(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations