Geometry & MOs

Info

ID:	247127
PubChem CID:	103068001
Reduced:	ClNSC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	207.108171
ΔH_f, kcal/mol:	42.64
Dipole, Da:	1.83
IP(EA), eV:	-8.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[(4-methylphenyl)sulfanylmethyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

C=C(CNC1CC1)CSC2=CC=C(C=C2)Cl

DOS

IR

Vibrations