Geometry & MOs

Info

ID:	384639
PubChem CID:	134977383
Reduced:	OC7H12 (3)
Stoich.:	AB7C12 (3)
Weight, g/mol:	360.375602
ΔH_f, kcal/mol:	-146.22
Dipole, Da:	3.02
IP(EA), eV:	-10.1(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-2,6-dimethyltetracos-2-en-9-yne

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@](C([C@@]1(C)CCC(C)CC(=O)OC)CC#C)(C)[C@H](C)O

DOS

IR

Vibrations