Geometry & MOs

Info

ID:	247169
PubChem CID:	103068405
Reduced:	N2S2C9H14 (1)
Stoich.:	A2B2C9D14 (1)
Weight, g/mol:	235.139471
ΔH_f, kcal/mol:	47.77
Dipole, Da:	1.82
IP(EA), eV:	-8.62(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methylphenyl)sulfanylmethyl]-N-propan-2-ylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CCNCC(=C)CSC1=NC=CS1

DOS

IR

Vibrations