Geometry & MOs

Info

ID:	48326
PubChem CID:	10538921
Reduced:	BrN2F3H6C7 (1)
Stoich.:	AB2C3D6E7 (1)
Weight, g/mol:	255.110673
ΔH_f, kcal/mol:	-137.27
Dipole, Da:	5.4
IP(EA), eV:	-8.92(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (E)-3-(cyclopentylideneamino)oxypent-2-enedioate

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1N)N)Br)C(F)(F)F

DOS

IR

Vibrations