Geometry & MOs

Info

ID:	13344
PubChem CID:	226334
Reduced:	O5C14H20 (1)
Stoich.:	A5B14C20 (1)
Weight, g/mol:	268.131074
ΔH_f, kcal/mol:	-204.29
Dipole, Da:	1.23
IP(EA), eV:	-8.77(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentan-3-yl 4-hydroxy-3,5-dimethoxybenzoate

Drug info:

PubChemData

Smile

CCC(CC)OC(=O)C1=CC(=C(C(=C1)OC)O)OC

DOS

IR

Vibrations