Geometry & MOs

Info

ID:	411699
PubChem CID:	135084533
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	238.120509
ΔH_f, kcal/mol:	-22.45
Dipole, Da:	2.83
IP(EA), eV:	-9.53(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4S,5S)-2,2-diethyl-5-(3-hydroxyprop-1-ynyl)-1,3-dioxolan-4-yl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CC(=O)CCCC(=C)C1=CC=CC=C1

DOS

IR

Vibrations