Geometry & MOs

Info

ID:	329238
PubChem CID:	126732887
Reduced:	FSN2O4C24H31 (1)
Stoich.:	ABC2D4E24F31 (1)
Weight, g/mol:	310.178024
ΔH_f, kcal/mol:	-167.4
Dipole, Da:	1.84
IP(EA), eV:	-8.84(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxybutyl 4-(6-hydroxyhexoxy)benzoate

Drug info:

PubChemData

Smile

CS(=O)(=O)NC(C1=C(C=C(C(=C1)C2CC2)OCC3CCN(CC3)CC4=CC=CC=C4)F)O

DOS

IR

Vibrations