Geometry & MOs

Info

ID:	295715
PubChem CID:	117543350
Reduced:	O2N3H7C8 (1)
Stoich.:	A2B3C7D8 (1)
Weight, g/mol:	177.053826
ΔH_f, kcal/mol:	-31.5
Dipole, Da:	5.03
IP(EA), eV:	-9.23(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-pyridin-4-ylidene)pyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

C1=CC(=C2C(=O)NNC2=O)NC=C1

DOS

IR

Vibrations