Geometry & MOs

Info

ID:	410965
PubChem CID:	135083769
Reduced:	OC7H7 (2)
Stoich.:	AB7C7 (2)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-13.53
Dipole, Da:	1.44
IP(EA), eV:	-9.49(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-hex-1-ynyl-3-[(1S)-1-hydroxyethyl]phenyl]ethanol

Drug info:

PubChemData

Smile

CC(=O)OC(C#C)C1=CC=CC=C1CC=C

DOS

IR

Vibrations