Geometry & MOs

Info

ID:	157440
PubChem CID:	56424143
Reduced:	OF3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	336.144948
ΔH_f, kcal/mol:	-113.19
Dipole, Da:	2.86
IP(EA), eV:	-9.71(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CN(N=N1)CC2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations