Geometry & MOs

Info

ID:	218621
PubChem CID:	85089702
Reduced:	NSO8H23C24 (1)
Stoich.:	ABC8D23E24 (1)
Weight, g/mol:	489.264094
ΔH_f, kcal/mol:	-192.39
Dipole, Da:	14.04
IP(EA), eV:	-9.7(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC(CC2=CC(=CC(=O)O2)OC)C(=CC3=CC=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations