Geometry & MOs

Info

ID:	409318
PubChem CID:	135082098
Reduced:	OC11H16 (1)
Stoich.:	AB11C16 (1)
Weight, g/mol:	164.120115
ΔH_f, kcal/mol:	-36.23
Dipole, Da:	1.92
IP(EA), eV:	-8.71(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H](C1(C)C)CC2=C=O

DOS

IR

Vibrations