Geometry & MOs

Info

ID:	384577
PubChem CID:	134977249
Reduced:	O2C21H40 (1)
Stoich.:	A2B21C40 (1)
Weight, g/mol:	240.187801
ΔH_f, kcal/mol:	-147.63
Dipole, Da:	3.2
IP(EA), eV:	-10.16(1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6,7-dimethylbicyclo[10.3.1]hexadec-6-en-3,9-diyne

Drug info:

PubChemData

Smile

CCCCCCCCCC[C@@H]([C@H](CC#CCCCC(C)C)O)O

DOS

IR

Vibrations