Geometry & MOs

Info

ID:	285023
PubChem CID:	104091068
Reduced:	FO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	156.11503
ΔH_f, kcal/mol:	-56.67
Dipole, Da:	5.48
IP(EA), eV:	-9.53(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyoct-7-yn-3-ol

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)C(=O)CCCC#C

DOS

IR

Vibrations