Geometry & MOs

Info

ID:	400124
PubChem CID:	135045729
Reduced:	NO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-162.66
Dipole, Da:	4.67
IP(EA), eV:	-9.7(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-8-phenylmethoxyoct-5-yne-1,4-diol

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=C(N=CC=C1)C)C(=O)OCC

DOS

IR

Vibrations