Geometry & MOs

Info

ID:	410908
PubChem CID:	135083709
Reduced:	ClO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	194.076536
ΔH_f, kcal/mol:	-129.15
Dipole, Da:	1.96
IP(EA), eV:	-9.45(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfanyl-4-(prop-2-enoxymethyl)benzene

Drug info:

PubChemData

Smile

COC(=O)C(CCC1=CC=C(C=C1)Cl)O

DOS

IR

Vibrations