Geometry & MOs

Info

ID:	429736
PubChem CID:	135169787
Reduced:	ClOF3N8H16C22 (1)
Stoich.:	ABC3D8E16F22 (1)
Weight, g/mol:	488.06159
ΔH_f, kcal/mol:	-18.41
Dipole, Da:	7.94
IP(EA), eV:	-9.39(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=CC2=C1C=CC=C2N=C(/C(=C\N)/C(=O)NC3=CC(=C(N=C3)N4N=CC=N4)Cl)C(F)(F)F

DOS

IR

Vibrations