Geometry & MOs

Info

ID:	7929
PubChem CID:	74478
Reduced:	ClNO3H6C7 (1)
Stoich.:	ABC3D6E7 (1)
Weight, g/mol:	187.003621
ΔH_f, kcal/mol:	-46.75
Dipole, Da:	3.93
IP(EA), eV:	-9.63(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-methyl-6-nitrophenol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)[N+](=O)[O-])Cl

DOS

IR

Vibrations