Geometry & MOs

Info

ID:	385494
PubChem CID:	134979239
Reduced:	BOC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	190.172151
ΔH_f, kcal/mol:	-100.53
Dipole, Da:	1.48
IP(EA), eV:	-9.08(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R,5S)-3-buta-1,3-dien-2-yl-2,6,6-trimethylbicyclo[3.1.1]heptane

Drug info:

PubChemData

Smile

B(CCC)(CCC)OC1=CCCC1

DOS

IR

Vibrations