Geometry & MOs

Info

ID:	324230
PubChem CID:	126677197
Reduced:	N3O3C31H33 (1)
Stoich.:	A3B3C31D33 (1)
Weight, g/mol:	334.097837
ΔH_f, kcal/mol:	-36.43
Dipole, Da:	3.31
IP(EA), eV:	-9.32(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-aminopyrazol-1-yl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C(C1)C(=NN2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CO

DOS

IR

Vibrations