Geometry & MOs

Info

ID:	412773
PubChem CID:	135085700
Reduced:	IOC14H15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	158.094294
ΔH_f, kcal/mol:	-1.89
Dipole, Da:	1.03
IP(EA), eV:	-8.86(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hex-5-enyl methyl carbonate

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=C(C3=CC=CC=C3O2)I

DOS

IR

Vibrations