Geometry & MOs

Info

ID:	319208
PubChem CID:	126655305
Reduced:	N4C19H26 (1)
Stoich.:	A4B19C26 (1)
Weight, g/mol:	474.181567
ΔH_f, kcal/mol:	63.15
Dipole, Da:	0.6
IP(EA), eV:	-7.88(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(2-cyano-6-fluorophenyl)-5-oxo-4-(1,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-2-yl)-7H-pyrrolo[3,4-b]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCN(CC2)C3=NN(C=C3)CC4=CC=CC=C4

DOS

IR

Vibrations