Geometry & MOs

Info

ID:	247132
PubChem CID:	103068032
Reduced:	NSC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	289.045876
ΔH_f, kcal/mol:	13.82
Dipole, Da:	2.39
IP(EA), eV:	-8.3(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dichlorophenyl)sulfanylmethyl]-N-propylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CCNCC(=C)CSC1=C(C=CC(=C1)C)C

DOS

IR

Vibrations