Geometry & MOs

Info

ID:	194777
PubChem CID:	78588545
Reduced:	NO2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	407.043961
ΔH_f, kcal/mol:	-74.71
Dipole, Da:	9.55
IP(EA), eV:	-9.07(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(3,5-dichloropyridin-2-yl)amino]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)propanoate

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)C(=O)COC(=O)C(C)OC3=CC=C(C=C3)C#N

DOS

IR

Vibrations