Geometry & MOs

Info

ID:	329239
PubChem CID:	126732893
Reduced:	O5C17H26 (1)
Stoich.:	A5B17C26 (1)
Weight, g/mol:	342.159787
ΔH_f, kcal/mol:	-229.28
Dipole, Da:	4.02
IP(EA), eV:	-9.39(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxybutyl 3-chloro-4-heptoxybenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)OCCCCO)OCCCCCCO

DOS

IR

Vibrations