Geometry & MOs

Info

ID:	246999
PubChem CID:	103066231
Reduced:	ClOSC11H13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	254.089599
ΔH_f, kcal/mol:	-19.21
Dipole, Da:	2.14
IP(EA), eV:	-8.79(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-[2-(chloromethyl)prop-2-enylsulfanyl]benzene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)SCC(=C)CCl

DOS

IR

Vibrations