Geometry & MOs

Info

ID:	319177
PubChem CID:	126655267
Reduced:	FO2N6H15C20 (1)
Stoich.:	AB2C6D15E20 (1)
Weight, g/mol:	497.187461
ΔH_f, kcal/mol:	22.2
Dipole, Da:	7.04
IP(EA), eV:	-8.59(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(2,6-difluorophenyl)-4-(3-morpholin-4-ylpyrazol-1-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

C1C(CN2C(=N1)C=C(N2)C3=CC(=NC4=C3C(=O)NC4)C5=C(C=CC=C5F)C#N)O

DOS

IR

Vibrations