Geometry & MOs

Info

ID:	219512
PubChem CID:	85148780
Reduced:	ClN3O6C26H34 (1)
Stoich.:	AB3C6D26E34 (1)
Weight, g/mol:	523.225122
ΔH_f, kcal/mol:	-160.69
Dipole, Da:	9.08
IP(EA), eV:	-8.64(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-6-(2-chlorophenyl)-1-[[4-[2-(tetrazolidin-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)OCCCN3CCN(CC3)CCCO[N+](=O)[O-].Cl

DOS

IR

Vibrations