Geometry & MOs

Info

ID:	139228
PubChem CID:	52494634
Reduced:	ON4C20H27 (1)
Stoich.:	AB4C20D27 (1)
Weight, g/mol:	284.098334
ΔH_f, kcal/mol:	-9.69
Dipole, Da:	3.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.945359
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxyphenyl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)NCC2=C([NH+]=CC=C2)N3CCCCC3

DOS

IR

Vibrations