Geometry & MOs

Info

ID:	39824
PubChem CID:	8142519
Reduced:	ClO2N3H10C12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	263.046154
ΔH_f, kcal/mol:	-23.37
Dipole, Da:	2.49
IP(EA), eV:	-9.67(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-5-[(4-chlorophenyl)methyl]-3a,6a-dihydro-3H-pyrrolo[3,4-c]pyrazole-4,6-dione

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)N=N1

DOS

IR

Vibrations