Geometry & MOs

Info

ID:	219017
PubChem CID:	85090372
Reduced:	N3O8H21C29 (1)
Stoich.:	A3B8C21D29 (1)
Weight, g/mol:	543.235828
ΔH_f, kcal/mol:	-193.33
Dipole, Da:	8.78
IP(EA), eV:	-8.88(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propyl-3-[[4-[2-(tetrazolidin-5-yl)phenyl]phenyl]methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

COC1C(OC2C(C1O)N3C4=C(C=C(C=C4)C=O)C5=C6C(=C7C8=C(N2C7=C53)C=CC(=C8)C=O)C(=O)NC6=O)CO

DOS

IR

Vibrations