Geometry & MOs

Info

ID:	224559
PubChem CID:	85344774
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-112.56
Dipole, Da:	3.59
IP(EA), eV:	-9.47(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(methoxymethoxy)ethyl]-7-methylidenebicyclo[3.2.1]oct-3-en-2-one

Drug info:

PubChemData

Smile

CC1C2CCC(=O)C3(C(C1CO3)C=C2)OC

DOS

IR

Vibrations