Geometry & MOs

Info

ID:	247177
PubChem CID:	103068486
Reduced:	NSC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	285.01868
ΔH_f, kcal/mol:	25.57
Dipole, Da:	3.21
IP(EA), eV:	-8.67(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromophenyl)sulfanylmethyl]-N-ethylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSCC(=C)CN

DOS

IR

Vibrations