Geometry & MOs

Info

ID:	319247
PubChem CID:	126655424
Reduced:	N2C4H5 (2)
Stoich.:	A2B4C5 (2)
Weight, g/mol:	560.254732
ΔH_f, kcal/mol:	71.3
Dipole, Da:	5.04
IP(EA), eV:	-9.81(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1C#N)C2=CC=NN2

DOS

IR

Vibrations