Geometry & MOs

Info

ID:	48274
PubChem CID:	10538527
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	248.17763
ΔH_f, kcal/mol:	4.95
Dipole, Da:	0.63
IP(EA), eV:	-9.29(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3bR,6S,6aS,7aS)-6a-hydroxy-4,4,6-trimethyl-2,3b,5,6,7,7a-hexahydro-1H-cyclopenta[a]pentalen-3-yl]ethanone

Drug info:

PubChemData

Smile

C/C(=N/OC)/CCC/C(=N/OC)/C1=CC=CC=C1

DOS

IR

Vibrations