Geometry & MOs

Info

ID:	209312
PubChem CID:	80651177
Reduced:	SN3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	9.31
Dipole, Da:	1.27
IP(EA), eV:	-8.38(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-yl]sulfanylacetate

Drug info:

PubChemData

Smile

CCN(CC)CCSC1=NC=C(C=C1C)CN

DOS

IR

Vibrations