Geometry & MOs

Info

ID:	247175
PubChem CID:	103068470
Reduced:	ClNSC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	249.155121
ΔH_f, kcal/mol:	14.93
Dipole, Da:	2.59
IP(EA), eV:	-8.58(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNCC(=C)CSC1=CC(=CC=C1)Cl

DOS

IR

Vibrations