Geometry & MOs

Info

ID:	27610
PubChem CID:	822538
Reduced:	FNO2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	315.121906
ΔH_f, kcal/mol:	-77.65
Dipole, Da:	1.74
IP(EA), eV:	-9.6(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3aS,6aR)-5-(2,5-dimethylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)NCCC2=CC=C(C=C2)F

DOS

IR

Vibrations