Geometry & MOs

Info

ID:	339102
PubChem CID:	127260359
Reduced:	NO4H13C15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	342.183109
ΔH_f, kcal/mol:	-119.49
Dipole, Da:	6.53
IP(EA), eV:	-9.65(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-3-octoxyphenyl) benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCNC(=O)C2=CC=CC=C2O

DOS

IR

Vibrations