Geometry & MOs

Info

ID:	9150
PubChem CID:	86662
Reduced:	Cl3C9H13 (1)
Stoich.:	A3B9C13 (1)
Weight, g/mol:	226.008284
ΔH_f, kcal/mol:	-54.05
Dipole, Da:	2.75
IP(EA), eV:	-11.03(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(trichloromethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene

Drug info:

PubChemData

Smile

C1CC2CCC(C2C1)C(Cl)(Cl)Cl

DOS

IR

Vibrations