Geometry & MOs

Info

ID:	47742
PubChem CID:	10535029
Reduced:	NC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	164.065972
ΔH_f, kcal/mol:	9.44
Dipole, Da:	2.98
IP(EA), eV:	-8.16(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylbut-3-ene-1-thiol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NCCCN

DOS

IR

Vibrations