Geometry & MOs

Info

ID:	398876
PubChem CID:	135035965
Reduced:	OC5H6 (4)
Stoich.:	AB5C6 (4)
Weight, g/mol:	211.099714
ΔH_f, kcal/mol:	-110.35
Dipole, Da:	3.01
IP(EA), eV:	-8.51(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,9bS)-4-hydroxy-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalene-5-carbonitrile

Drug info:

PubChemData

Smile

C[C@H](CC1=CC(=C(C=C1)O)OC)[C@@H](C)/C=C\2/C=CC(=O)C(=C2)OC

DOS

IR

Vibrations