Geometry & MOs

Info

ID:	247174
PubChem CID:	103068455
Reduced:	SN3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	255.084848
ΔH_f, kcal/mol:	22.67
Dipole, Da:	1.54
IP(EA), eV:	-8.67(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chlorophenyl)sulfanylmethyl]-N-propylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)SCC(=C)CNC(C)(C)C

DOS

IR

Vibrations