Geometry & MOs

Info

ID:	302478
PubChem CID:	124361916
Reduced:	FO2N3H16C25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	438.093975
ΔH_f, kcal/mol:	55.62
Dipole, Da:	4.13
IP(EA), eV:	-8.44(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-3-(quinoline-2-carbonyl)-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C[C@@H]3N2[C@H]([C@H](C3(C#N)C#N)C4=CC=CO4)C(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations