Geometry & MOs

Info

ID:	384787
PubChem CID:	134977669
Reduced:	C7H12 (2)
Stoich.:	A7B12 (2)
Weight, g/mol:	314.188195
ΔH_f, kcal/mol:	-6.32
Dipole, Da:	0.19
IP(EA), eV:	-8.91(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6Z,10S,11R)-10-(methoxymethoxy)-14,15,15-trimethylbicyclo[9.3.1]pentadeca-1(14),6-dien-4,8-diyn-3-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations