Geometry & MOs

Info

ID:	83882
PubChem CID:	49862177
Reduced:	ClN7H20C23 (1)
Stoich.:	AB7C20D23 (1)
Weight, g/mol:	403.161995
ΔH_f, kcal/mol:	126.11
Dipole, Da:	4.35
IP(EA), eV:	-8.3(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC2=C(C(=C(C3=C2C(=NC(=N3)N)N)Cl)NCC4=CC=CC=C4)C#N

DOS

IR

Vibrations