Geometry & MOs

Info

ID:	83571
PubChem CID:	49858001
Reduced:	N2O2F3C22H31 (1)
Stoich.:	A2B2C3D22E31 (1)
Weight, g/mol:	494.158164
ΔH_f, kcal/mol:	-241.5
Dipole, Da:	4.62
IP(EA), eV:	-8.75(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-chloro-2-methoxypyridin-3-yl)-1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C(=O)CN3CCC(CC3)C(F)(F)F

DOS

IR

Vibrations