Geometry & MOs

Info

ID:	37258
PubChem CID:	8018833
Reduced:	NO5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	416.137222
ΔH_f, kcal/mol:	-223.1
Dipole, Da:	4.59
IP(EA), eV:	-9.27(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N[C@@H](CC(C)C)C(=O)OC

DOS

IR

Vibrations