Geometry & MOs

Info

ID:	411423
PubChem CID:	135084248
Reduced:	BClPC4H13 (1)
Stoich.:	ABCD4E13 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-35.24
Dipole, Da:	5.49
IP(EA), eV:	-9.82(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7R,9Z,12E)-pentadeca-3,9,12-trien-1-yne-6,7-diol

Drug info:

PubChemData

Smile

B.CCP(CC)Cl

DOS

IR

Vibrations