Geometry & MOs

Info

ID:	228024
PubChem CID:	87563241
Reduced:	NOF3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	423.90652
ΔH_f, kcal/mol:	-196.1
Dipole, Da:	5.76
IP(EA), eV:	-8.9(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	-6

Chem-info

IUPAC name:

4-(2-bromocyclopenta-2,4-dien-1-yl)-5-chlorobenzene-1,2-dicarbonitrile;cyclopentane;iron

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)N(CCC2(C)C)C(=O)C(F)(F)F

DOS

IR

Vibrations