Geometry & MOs

Info

ID:	9500
PubChem CID:	90289
Reduced:	NO3C8H9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	167.058243
ΔH_f, kcal/mol:	-37.92
Dipole, Da:	5.3
IP(EA), eV:	-10.22(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-3-nitrophenyl)methanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations