Geometry & MOs

Info

ID:	441489
PubChem CID:	135235303
Reduced:	NPF4H4C6 (1)
Stoich.:	ABC4D4E6 (1)
Weight, g/mol:	413.113331
ΔH_f, kcal/mol:	-176.07
Dipole, Da:	2.12
IP(EA), eV:	-9.79(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-ethylsulfonyl-1-methyl-2-prop-1-en-2-ylimidazol-4-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1F)P)C(F)(F)F

DOS

IR

Vibrations