Geometry & MOs

Info

ID:	22602
PubChem CID:	597965
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-45.66
Dipole, Da:	5.96
IP(EA), eV:	-9.24(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-cyanonaphthalen-2-yl) octanoate

Drug info:

PubChemData

Smile

CCCCCCCC(=O)OC1=CC2=C(C=C1)C=C(C=C2)C#N

DOS

IR

Vibrations