Geometry & MOs

Info

ID:	32261
PubChem CID:	6436231
Reduced:	OC2H2 (4)
Stoich.:	AB2C2 (4)
Weight, g/mol:	260.17763
ΔH_f, kcal/mol:	-121.8
Dipole, Da:	5.45
IP(EA), eV:	-9.93(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,8S,9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol

Drug info:

PubChemData

Smile

CC1=C(O/C(=C/C(=O)C)/C1=O)O

DOS

IR

Vibrations