Geometry & MOs

Info

ID:	148959
PubChem CID:	53788629
Reduced:	ClO4C20H35 (1)
Stoich.:	AB4C20D35 (1)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	-243.67
Dipole, Da:	3.83
IP(EA), eV:	-9.5(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[(2-methylpropan-2-yl)oxy]oct-4-en-1-yn-3-ol

Drug info:

PubChemData

Smile

CCCCCCC(=C[C@H]1CCC[C@@H]1CCCCCC(C(=O)O)(O)O)Cl

DOS

IR

Vibrations