Geometry & MOs

Info

ID:	82486
PubChem CID:	49856090
Reduced:	ClO3N7C22H24 (1)
Stoich.:	AB3C7D22E24 (1)
Weight, g/mol:	484.117442
ΔH_f, kcal/mol:	-11.47
Dipole, Da:	3.4
IP(EA), eV:	-8.31(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(CN1C=C(C(=N1)C2=C(C=CC(=C2)Cl)OC)NC(=O)C3=C4N=CC=CN4N=C3N)O

DOS

IR

Vibrations