Geometry & MOs

Info

ID:	407793
PubChem CID:	135080548
Reduced:	ClSC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	166.135765
ΔH_f, kcal/mol:	17.43
Dipole, Da:	3.16
IP(EA), eV:	-8.5(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(E)-but-2-en-2-yl]-6-methyl-2,3,4,7-tetrahydrooxepine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S/C=C\CCCCl

DOS

IR

Vibrations