Geometry & MOs

Info

ID:	22192
PubChem CID:	596221
Reduced:	NO3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	179.058243
ΔH_f, kcal/mol:	-29.56
Dipole, Da:	6.08
IP(EA), eV:	-10.34(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methyl-2-nitrophenyl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations