Geometry & MOs

Info

ID:	194780
PubChem CID:	78588780
Reduced:	BrNO4H14C18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	410.111401
ΔH_f, kcal/mol:	-72.38
Dipole, Da:	6.89
IP(EA), eV:	-9.48(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate

Drug info:

PubChemData

Smile

CC(C(=O)OCC(=O)C1=CC(=CC=C1)Br)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations