Geometry & MOs

Info

ID:	339096
PubChem CID:	127260353
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	348.266445
ΔH_f, kcal/mol:	-44.85
Dipole, Da:	2.59
IP(EA), eV:	-10.15(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-6-methyltetradecyl) benzoate

Drug info:

PubChemData

Smile

CCC(COC(=O)C1=CC=CC=C1)C#N

DOS

IR

Vibrations