Geometry & MOs

Info

ID:	441479
PubChem CID:	135235291
Reduced:	O4N5C11H15 (1)
Stoich.:	A4B5C11D15 (1)
Weight, g/mol:	425.149716
ΔH_f, kcal/mol:	-105.88
Dipole, Da:	3.74
IP(EA), eV:	-9.33(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1C(C(C(O1)C2=CNN3C2=NC(=NC3=O)N)O)O

DOS

IR

Vibrations