Geometry & MOs

Info

ID:	337722
PubChem CID:	127258345
Reduced:	NO5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	384.214803
ΔH_f, kcal/mol:	-161.73
Dipole, Da:	7.48
IP(EA), eV:	-8.18(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexane-1,6-diol;4-(4-hydroxybutoxycarbonyl)-2,3-dimethylbenzoic acid

Drug info:

PubChemData

Smile

CCO/C=C(\C(=O)C)/C(=O)NC1=CC2=C(C=C1)OCO2

DOS

IR

Vibrations