Geometry & MOs

Info

ID:	83032
PubChem CID:	49857037
Reduced:	ClO3N7C23H24 (1)
Stoich.:	AB3C7D23E24 (1)
Weight, g/mol:	454.152016
ΔH_f, kcal/mol:	22.19
Dipole, Da:	8.17
IP(EA), eV:	-8.38(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C2=C(C=NN2CCN3CCOCC3)NC(=O)C4=C5N=CC=CN5N=C4

DOS

IR

Vibrations