Geometry & MOs

Info

ID:	195613
PubChem CID:	78712460
Reduced:	ClO7H19C21 (1)
Stoich.:	AB7C19D21 (1)
Weight, g/mol:	410.147786
ΔH_f, kcal/mol:	-210.14
Dipole, Da:	3.11
IP(EA), eV:	-8.68(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C=CC2=CC3=C(C(=C2)Cl)OCCO3

DOS

IR

Vibrations