Geometry & MOs

Info

ID:	279284
PubChem CID:	103842830
Reduced:	BrClON5H7C9 (1)
Stoich.:	ABCD5E7F9 (1)
Weight, g/mol:	363.02816
ΔH_f, kcal/mol:	61.51
Dipole, Da:	4.73
IP(EA), eV:	-9.97(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-2,5-difluoroanilino)-2,2-diethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NCC2=NNN=N2)Br)Cl

DOS

IR

Vibrations