Geometry & MOs

Info

ID:	141719
PubChem CID:	52921555
Reduced:	N3O5H21C24 (1)
Stoich.:	A3B5C21D24 (1)
Weight, g/mol:	401.137556
ΔH_f, kcal/mol:	-85.62
Dipole, Da:	8.63
IP(EA), eV:	-9.06(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(2-hydroxybenzoyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCN2C=NC3=C2N=C(C(=C3)C(=O)C4=CC=CC=C4O)C(=O)OC

DOS

IR

Vibrations