Geometry & MOs

Info

ID:	439398
PubChem CID:	135229172
Reduced:	ON5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	437.149716
ΔH_f, kcal/mol:	55.1
Dipole, Da:	4.25
IP(EA), eV:	-9.11(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N)OCC2=CN3C=CC=CC3=N2

DOS

IR

Vibrations