Geometry & MOs

Info

ID:	247128
PubChem CID:	103068009
Reduced:	NSC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	235.139471
ΔH_f, kcal/mol:	26.2
Dipole, Da:	1.67
IP(EA), eV:	-8.51(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethylphenyl)sulfanylmethyl]-N-ethylprop-2-en-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations