Geometry & MOs

Info

ID:	247187
PubChem CID:	103068556
Reduced:	NSC14H27 (1)
Stoich.:	ABC14D27 (1)
Weight, g/mol:	299.101371
ΔH_f, kcal/mol:	-30.37
Dipole, Da:	1.66
IP(EA), eV:	-8.65(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylsulfonylphenyl)sulfanylmethyl]-N-propylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)NCC(=C)CSCC1CCCC1

DOS

IR

Vibrations