Geometry & MOs

Info

ID:	339103
PubChem CID:	127260360
Reduced:	O4C21H26 (1)
Stoich.:	A4B21C26 (1)
Weight, g/mol:	254.115424
ΔH_f, kcal/mol:	-139.15
Dipole, Da:	2.14
IP(EA), eV:	-8.66(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-hydroxy-1-(2-hydroxypropoxy)propan-2-yl] benzoate

Drug info:

PubChemData

Smile

CCCCCCCCOC1=C(C(=CC=C1)OC(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations