Geometry & MOs

Info

ID:	182022
PubChem CID:	76829509
Reduced:	ClO2N5C10H12 (1)
Stoich.:	AB2C5D10E12 (1)
Weight, g/mol:	428.06078
ΔH_f, kcal/mol:	73.99
Dipole, Da:	3.08
IP(EA), eV:	-8.93(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3-bromo-4-fluoroanilino)-nitrosomethylidene]-1,2,5-oxadiazolidin-3-yl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=C2C(NON2)N)N=O

DOS

IR

Vibrations