Geometry & MOs

Info

ID:	19341
PubChem CID:	561989
Reduced:	NO3C8H9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	167.058243
ΔH_f, kcal/mol:	-38.3
Dipole, Da:	4.8
IP(EA), eV:	-10.22(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-2-nitrophenyl)methanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations