Geometry & MOs

Info

ID:	185694
PubChem CID:	77334216
Reduced:	O2C12H17 (2)
Stoich.:	A2B12C17 (2)
Weight, g/mol:	766.466008
ΔH_f, kcal/mol:	-210.95
Dipole, Da:	1.8
IP(EA), eV:	-9.77(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)C1(CCC2C1(CCC3C2CC4CCC5CC3C4CC5=O)C)OC(=O)C

DOS

IR

Vibrations