Geometry & MOs

Info

ID:	338406
PubChem CID:	127259098
Reduced:	BrO2N3H6C9 (1)
Stoich.:	AB2C3D6E9 (1)
Weight, g/mol:	245.025499
ΔH_f, kcal/mol:	15.41
Dipole, Da:	7.91
IP(EA), eV:	-9.81(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chloro-4-fluoroanilino)-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)N/N=C(\C#N)/C(=O)O

DOS

IR

Vibrations