Geometry & MOs

Info

ID:	340279
PubChem CID:	127262290
Reduced:	ClH3O3C6 (1)
Stoich.:	AB3C3D6 (1)
Weight, g/mol:	350.297351
ΔH_f, kcal/mol:	-51.82
Dipole, Da:	5.03
IP(EA), eV:	-11.44(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-octyl-1,2,3,4,5,6,7,8,9,10-decahydrochrysene

Drug info:

PubChemData

Smile

C1C(C2=C1C(=O)OC2=O)Cl

DOS

IR

Vibrations