Geometry & MOs

Info

ID:	402169
PubChem CID:	135054708
Reduced:	O5C17H18 (1)
Stoich.:	A5B17C18 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	-163.87
Dipole, Da:	5.63
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4aR,8aS,8bS)-3a-(furan-2-yl)-1,2,3,4a,5,6,7,8,8a,8b-decahydrocyclopenta[a]inden-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C3=C2CCCO3)C(=O)OC

DOS

IR

Vibrations