Geometry & MOs

Info

ID:	56701
PubChem CID:	22388041
Reduced:	SCl2O2N3H11C14 (1)
Stoich.:	AB2C2D3E11F14 (1)
Weight, g/mol:	374.078183
ΔH_f, kcal/mol:	2.97
Dipole, Da:	7.1
IP(EA), eV:	-9.54(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2-chloro-4-nitrophenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=C(N1CC3=C(SC(=C3)Cl)Cl)C=CC(=N2)C(=O)OC

DOS

IR

Vibrations