Geometry & MOs

Info

ID:	52709
PubChem CID:	12015744
Reduced:	IOC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	162.104465
ΔH_f, kcal/mol:	-55.12
Dipole, Da:	2.71
IP(EA), eV:	-9.46(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6R,7aR)-6-ethenyl-3a,4,5,6,7,7a-hexahydroinden-1-one

Drug info:

PubChemData

Smile

CC(C)[C@H]1CCC(=O)[C@]1(C)CCC/C=C/I

DOS

IR

Vibrations