Geometry & MOs

Info

ID:	393658
PubChem CID:	135021444
Reduced:	OC9H14 (1)
Stoich.:	AB9C14 (1)
Weight, g/mol:	324.281701
ΔH_f, kcal/mol:	6.36
Dipole, Da:	2.65
IP(EA), eV:	-9.3(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,12,19-trimethylheptacyclo[15.4.0.03,8.04,7.010,15.011,14.018,21]henicosane

Drug info:

PubChemData

Smile

C/C(=C\COC)/CCC#C

DOS

IR

Vibrations