Geometry & MOs

Info

ID:	439463
PubChem CID:	135229237
Reduced:	SC27H46 (1)
Stoich.:	AB27C46 (1)
Weight, g/mol:	423.170451
ΔH_f, kcal/mol:	-59.71
Dipole, Da:	2.2
IP(EA), eV:	-8.3(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC(CC(C)(CCCCCC)SC1=CC=C(C=C1)C)C2CCC2

DOS

IR

Vibrations