Geometry & MOs

Info

ID:	126172
PubChem CID:	50954378
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	385.163771
ΔH_f, kcal/mol:	-87.74
Dipole, Da:	5.15
IP(EA), eV:	-9.53(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethoxyethyl)-1-[(3S)-3-hydroxy-3-phenylpropyl]-2-oxoimidazo[4,5-b]pyridine-6-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)N2CCCN3C(=CC(=N3)C(=O)NCCO)C2)C

DOS

IR

Vibrations