Geometry & MOs

Info

ID:	4396
PubChem CID:	11346
Reduced:	NO3H7C8 (1)
Stoich.:	AB3C7D8 (1)
Weight, g/mol:	165.042593
ΔH_f, kcal/mol:	-19.02
Dipole, Da:	6.09
IP(EA), eV:	-10.63(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-nitrophenyl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations