Geometry & MOs

Info

ID:	126941
PubChem CID:	50984680
Reduced:	NO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-54.1
Dipole, Da:	3.05
IP(EA), eV:	-9.03(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethoxyethyl)-1-(4-methylpent-3-enyl)-2-oxoimidazo[4,5-b]pyridine-6-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@@H]1C2=CC3=CC=CC=C3C=C2)O)C(=O)CCC4CC4

DOS

IR

Vibrations