Geometry & MOs

Info

ID:	8641
PubChem CID:	79805
Reduced:	NO3H11C14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	241.073893
ΔH_f, kcal/mol:	2.94
Dipole, Da:	4.56
IP(EA), eV:	-10.01(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-nitrophenyl)phenyl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations