Geometry & MOs

Info

ID:	195620
PubChem CID:	78712844
Reduced:	N3O5C19H19 (1)
Stoich.:	A3B5C19D19 (1)
Weight, g/mol:	416.1139
ΔH_f, kcal/mol:	-129.42
Dipole, Da:	2.95
IP(EA), eV:	-9.37(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N3C1(CCC3=O)C(=O)OCC4=NOC(=C4)C

DOS

IR

Vibrations