Geometry & MOs

Info

ID:	372073
PubChem CID:	131292834
Reduced:	N2F3O3H5C7 (1)
Stoich.:	A2B3C3D5E7 (1)
Weight, g/mol:	222.025227
ΔH_f, kcal/mol:	-169.11
Dipole, Da:	4.07
IP(EA), eV:	-11.26(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-nitro-2-(trifluoromethyl)pyridin-3-yl]methanol

Drug info:

PubChemData

Smile

C1=C(C(=C(C=N1)[N+](=O)[O-])C(F)(F)F)CO

DOS

IR

Vibrations