Geometry & MOs

Info

ID:	220745
PubChem CID:	85230836
Reduced:	OC3H5 (4)
Stoich.:	AB3C5 (4)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-206.89
Dipole, Da:	3.6
IP(EA), eV:	-9.95(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hex-5-enyl-5,6,7,8-tetrahydroisochromen-3-one

Drug info:

PubChemData

Smile

CC1(OCC(O1)C(C2(CCCC2=O)C)O)C

DOS

IR

Vibrations