Geometry & MOs

Info

ID:	425927
PubChem CID:	135132221
Reduced:	F3O3N4C16H17 (1)
Stoich.:	A3B3C4D16E17 (1)
Weight, g/mol:	499.077135
ΔH_f, kcal/mol:	-223.25
Dipole, Da:	5.13
IP(EA), eV:	-9.46(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-6-(triazol-2-yl)pyridin-3-yl]-1-(3-oxo-4H-naphthalen-1-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=C(N(N=C1)C2=CC=CC(=N2)NC(=O)OC(C)(C)C)C(F)(F)F

DOS

IR

Vibrations