Geometry & MOs

Info

ID:	56700
PubChem CID:	22388021
Reduced:	BrClN3H15C20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	354.994903
ΔH_f, kcal/mol:	83.0
Dipole, Da:	3.29
IP(EA), eV:	-9.25(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(2,5-dichlorothiophen-3-yl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=C(N1CC3=C(C=C(C=C3)C4=CC=CC=C4)Cl)N=C(C=C2)Br

DOS

IR

Vibrations