Geometry & MOs

Info

ID:	226618
PubChem CID:	87544437
Reduced:	BrN4O5H9C14 (1)
Stoich.:	AB4C5D9E14 (1)
Weight, g/mol:	188.959802
ΔH_f, kcal/mol:	-17.16
Dipole, Da:	14.47
IP(EA), eV:	-8.83(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cobalt;2,4-dioxopentanoic acid

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C2=NN/C(=C\3/C=C(C(=O)C(=C3)O)[N+](=O)[O-])/O2)Br

DOS

IR

Vibrations