Geometry & MOs

Info

ID:	220474
PubChem CID:	85195486
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-109.2
Dipole, Da:	1.93
IP(EA), eV:	-9.24(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethenyl-4-hydroxy-3,3,6-trimethyl-3a,4,5,6,7,7a-hexahydro-2H-inden-1-one

Drug info:

PubChemData

Smile

COC(=O)C1(C2C1OCCC2)C3=CCCC3

DOS

IR

Vibrations