Geometry & MOs

Info

ID:	247162
PubChem CID:	103068335
Reduced:	NSC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	215.058027
ΔH_f, kcal/mol:	37.42
Dipole, Da:	2.03
IP(EA), eV:	-8.25(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-difluorophenyl)sulfanylmethyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)NCC(=C)CSC1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations