Geometry & MOs

Info

ID:	429725
PubChem CID:	135169776
Reduced:	FNH4C5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	521.05228
ΔH_f, kcal/mol:	-59.86
Dipole, Da:	1.42
IP(EA), eV:	-9.06(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[5-chloro-6-(triazol-2-yl)pyridin-3-yl]-1-(6-methoxythieno[2,3-c]pyridin-6-ium-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C=C/C(=C/N)/C(=NC1=CN=CC2=CC=CC=C21)C(F)(F)F

DOS

IR

Vibrations