Geometry & MOs

Info

ID:	13471
PubChem CID:	234647
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	283.120843
ΔH_f, kcal/mol:	-10.07
Dipole, Da:	5.37
IP(EA), eV:	-9.81(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-1,3-diphenylpentan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations