Geometry & MOs

Info

ID:	83164
PubChem CID:	49857230
Reduced:	ClO4N6C22H23 (1)
Stoich.:	AB4C6D22E23 (1)
Weight, g/mol:	422.125802
ΔH_f, kcal/mol:	-25.28
Dipole, Da:	3.2
IP(EA), eV:	-8.85(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(5-chloro-2-methoxyphenyl)-1-(cyclopropylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

COCCOCCN1C(=C(C=N1)NC(=O)C2=C3N=CC=CN3N=C2)C4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations