Geometry & MOs

Info

ID:	199629
PubChem CID:	79273889
Reduced:	NO2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	303.077454
ΔH_f, kcal/mol:	-21.79
Dipole, Da:	7.18
IP(EA), eV:	-10.21(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-3-(2,5-dimethoxyphenyl)imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

C#CCN(CC1=CC(=CC=C1)[N+](=O)[O-])CC(=O)O

DOS

IR

Vibrations