Geometry & MOs

Info

ID:	291534
PubChem CID:	113384786
Reduced:	SN3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	253.11365
ΔH_f, kcal/mol:	68.53
Dipole, Da:	2.45
IP(EA), eV:	-8.67(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[4-(methylaminomethyl)phenyl]sulfanylacetate

Drug info:

PubChemData

Smile

CNCC1=CC=C(C=C1)SCC2=NC=CC=N2

DOS

IR

Vibrations