Geometry & MOs

Info

ID:	83465
PubChem CID:	49857623
Reduced:	ClO3N7C20H20 (1)
Stoich.:	AB3C7D20E20 (1)
Weight, g/mol:	452.136366
ΔH_f, kcal/mol:	1.51
Dipole, Da:	6.19
IP(EA), eV:	-8.4(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations