Geometry & MOs

Info

ID:	372074
PubChem CID:	131292835
Reduced:	N2F3O3H5C7 (1)
Stoich.:	A2B3C3D5E7 (1)
Weight, g/mol:	222.025227
ΔH_f, kcal/mol:	-167.32
Dipole, Da:	2.73
IP(EA), eV:	-11.2(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-nitro-5-(trifluoromethyl)pyridin-3-yl]methanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations