Geometry & MOs

Info

ID:	272620
PubChem CID:	103750200
Reduced:	N2O3F4H8C11 (1)
Stoich.:	A2B3C4D8E11 (1)
Weight, g/mol:	248.057276
ΔH_f, kcal/mol:	-207.47
Dipole, Da:	3.78
IP(EA), eV:	-10.76(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1(C(F)(F)F)NC(=O)C2=C(C=CC(=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations