Geometry & MOs

Info

ID:	68325
PubChem CID:	46508192
Reduced:	FSN2O2C21H21 (1)
Stoich.:	ABC2D2E21F21 (1)
Weight, g/mol:	310.092912
ΔH_f, kcal/mol:	-59.74
Dipole, Da:	2.48
IP(EA), eV:	-8.89(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=CC=C1)NC(=O)CSC2=NC=C(O2)C3=CC=C(C=C3)F

DOS

IR

Vibrations