Geometry & MOs

Info

ID:	264771
PubChem CID:	103489566
Reduced:	BO5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	278.151809
ΔH_f, kcal/mol:	-272.13
Dipole, Da:	3.53
IP(EA), eV:	-8.97(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(1-ethoxypropan-2-yloxymethyl)-2-methoxyphenyl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

B(C1=C(C=CC(=C1)COC(C)COCC)OC)(O)O

DOS

IR

Vibrations