Geometry & MOs

Info

ID:	8619
PubChem CID:	79596
Reduced:	ClNO3H6C8 (1)
Stoich.:	ABC3D6E8 (1)
Weight, g/mol:	199.003621
ΔH_f, kcal/mol:	-27.35
Dipole, Da:	7.17
IP(EA), eV:	-10.51(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-3-nitrophenyl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations