Geometry & MOs

Info

ID:	319185
PubChem CID:	126655275
Reduced:	N4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	517.223766
ΔH_f, kcal/mol:	72.93
Dipole, Da:	3.52
IP(EA), eV:	-8.06(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NN(C=C2)CC3=CC=CC=C3

DOS

IR

Vibrations