Geometry & MOs

Info

ID:	374401
PubChem CID:	131328441
Reduced:	NF3O3H8C9 (1)
Stoich.:	AB3C3D8E9 (1)
Weight, g/mol:	235.045628
ΔH_f, kcal/mol:	-192.09
Dipole, Da:	5.26
IP(EA), eV:	-10.47(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-2-nitro-3-(trifluoromethyl)phenyl]methanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations