Geometry & MOs

Info

ID:	198831
PubChem CID:	79159111
Reduced:	ClN2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	316.145678
ΔH_f, kcal/mol:	-50.61
Dipole, Da:	2.49
IP(EA), eV:	-8.93(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[[6-methyl-3-(3-methylsulfonylpropoxy)pyridin-2-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)OCC=CCl)CNCCOC

DOS

IR

Vibrations