Geometry & MOs

Info

ID:	191030
PubChem CID:	78096108
Reduced:	ClNO3C9H18 (1)
Stoich.:	ABC3D9E18 (1)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-180.65
Dipole, Da:	3.56
IP(EA), eV:	-9.98(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hept-6-enyl-3,4-dihydropyran-2-one

Drug info:

PubChemData

Smile

CC(C)C(C)C(=O)C(C(=O)OC)N.Cl

DOS

IR

Vibrations