Geometry & MOs

Info

ID:	172132
PubChem CID:	75470905
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	399.065318
ΔH_f, kcal/mol:	46.62
Dipole, Da:	5.51
IP(EA), eV:	-8.98(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CN=C3N2C=CN=C3)COC4=CC=CC=C4

DOS

IR

Vibrations