Geometry & MOs

Info

ID:	28448
PubChem CID:	827696
Reduced:	SN2O3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	300.027725
ΔH_f, kcal/mol:	-34.17
Dipole, Da:	4.78
IP(EA), eV:	-9.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)CON=C(C)C2=CC=CS2

DOS

IR

Vibrations