Geometry & MOs

Info

ID:	141717
PubChem CID:	52921549
Reduced:	N2O2C21H34 (1)
Stoich.:	A2B2C21D34 (1)
Weight, g/mol:	431.148121
ΔH_f, kcal/mol:	-91.39
Dipole, Da:	1.4
IP(EA), eV:	-9.16(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NN(C(=C1)C(=O)OC/C=C(\C)/CCC=C(C)C)C(C)(C)C

DOS

IR

Vibrations