Geometry & MOs

Info

ID:	378606
PubChem CID:	134224698
Reduced:	OF4N5H17C20 (1)
Stoich.:	AB4C5D17E20 (1)
Weight, g/mol:	162.090546
ΔH_f, kcal/mol:	-122.66
Dipole, Da:	1.04
IP(EA), eV:	-9.86(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1C2=C(C=C(C=C2)F)C(F)(F)F)C(C3=NN=C4N3C=C(C=C4)C#N)O

DOS

IR

Vibrations