Geometry & MOs

Info

ID:	439399
PubChem CID:	135229173
Reduced:	OSF3N5C20H22 (1)
Stoich.:	ABC3D5E20F22 (1)
Weight, g/mol:	421.154801
ΔH_f, kcal/mol:	-108.62
Dipole, Da:	9.34
IP(EA), eV:	-8.53(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(cyclohexen-1-yl)-5-ethylsulfanyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CCS(=O)C1=C(N=C(N1C)C2=CCCCC2)C3=NC4=CC(=NC=C4N3C)C(F)(F)F

DOS

IR

Vibrations