Geometry & MOs

Info

ID:	387894
PubChem CID:	134987298
Reduced:	IOC15H17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	142.054928
ΔH_f, kcal/mol:	-10.6
Dipole, Da:	2.44
IP(EA), eV:	-9.28(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-5-chloro-1,2,3,3a,4,6a-hexahydropentalene

Drug info:

PubChemData

Smile

C1C/C(=C(/CCCC2=CC=CC=C2)\I)/C(=O)C1

DOS

IR

Vibrations