Geometry & MOs

Info

ID:	295714
PubChem CID:	117543343
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	177.053826
ΔH_f, kcal/mol:	-86.63
Dipole, Da:	2.81
IP(EA), eV:	-8.61(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-pyridin-2-ylidene)pyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)OC)C2(CCN(C2)C)CO

DOS

IR

Vibrations