Geometry & MOs

Info

ID:	405302
PubChem CID:	135073452
Reduced:	NSO5H21C22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	294.097998
ΔH_f, kcal/mol:	-142.17
Dipole, Da:	6.14
IP(EA), eV:	-8.96(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C(=O)OC)C3=CC=C(C=C3)OC

DOS

IR

Vibrations