Geometry & MOs

Info

ID:	439472
PubChem CID:	135229246
Reduced:	F3N3C8H8 (1)
Stoich.:	A3B3C8D8 (1)
Weight, g/mol:	429.108245
ΔH_f, kcal/mol:	-111.71
Dipole, Da:	6.35
IP(EA), eV:	-9.2(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CN=CC1=CN=C(C=C1N)C(F)(F)F

DOS

IR

Vibrations