Geometry & MOs

Info

ID:	201145
PubChem CID:	79495736
Reduced:	OC3H4 (5)
Stoich.:	AB3C4 (5)
Weight, g/mol:	172.109944
ΔH_f, kcal/mol:	-179.61
Dipole, Da:	3.3
IP(EA), eV:	-8.81(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-diethoxypent-4-yn-2-ol

Drug info:

PubChemData

Smile

CCOC(C(=O)C1=CC2=C(C=C1)OCCCO2)OCC

DOS

IR

Vibrations