Geometry & MOs

Info

ID:	247129
PubChem CID:	103068026
Reduced:	NSC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	249.155121
ΔH_f, kcal/mol:	12.43
Dipole, Da:	2.23
IP(EA), eV:	-8.07(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations