Geometry & MOs

Info

ID:	199766
PubChem CID:	79293969
Reduced:	ClN3C16H22 (1)
Stoich.:	AB3C16D22 (1)
Weight, g/mol:	279.150225
ΔH_f, kcal/mol:	5.1
Dipole, Da:	1.43
IP(EA), eV:	-9.24(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-7-methyl-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CCC1CCCC(C1)N2C(=NC3=C(C=CN=C32)C)CCl

DOS

IR

Vibrations