Geometry & MOs

Info

ID:	150722
PubChem CID:	53790417
Reduced:	ClN2O3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	402.220638
ΔH_f, kcal/mol:	-124.28
Dipole, Da:	3.92
IP(EA), eV:	-8.56(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-4-nonoxyphenyl) 4-ethoxybenzoate

Drug info:

PubChemData

Smile

CCN(CC)CCOC(=O)C1=C(C(=C(C=C1)N)Cl)OC

DOS

IR

Vibrations