Geometry & MOs

Info

ID:	83949
PubChem CID:	49862788
Reduced:	O2C13H13 (2)
Stoich.:	A2B13C13 (2)
Weight, g/mol:	346.104146
ΔH_f, kcal/mol:	-33.87
Dipole, Da:	2.02
IP(EA), eV:	-8.62(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-propoxy-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine-4-carbonitrile

Drug info:

PubChemData

Smile

C=C(C1COC2(CCCCC2)OO1)C3=CC=C(C=C3)OC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations