Geometry & MOs

Info

ID:	247136
PubChem CID:	103068073
Reduced:	ClNSC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	237.118735
ΔH_f, kcal/mol:	25.79
Dipole, Da:	2.81
IP(EA), eV:	-8.58(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[(4-methoxyphenyl)sulfanylmethyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCNCC(=C)CSC1=CC=CC=C1Cl

DOS

IR

Vibrations