Geometry & MOs

Info

ID:	20021
PubChem CID:	577039
Reduced:	O3N4H12C17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	320.09094
ΔH_f, kcal/mol:	-1.5
Dipole, Da:	3.39
IP(EA), eV:	-9.48(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-3-(pyridine-3-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)C3C(C2=O)NN=C3C(=O)C4=CN=CC=C4

DOS

IR

Vibrations