Geometry & MOs

Info

ID:	82485
PubChem CID:	49856089
Reduced:	ClO2N7H18C23 (1)
Stoich.:	AB2C7D18E23 (1)
Weight, g/mol:	469.162915
ΔH_f, kcal/mol:	97.77
Dipole, Da:	5.41
IP(EA), eV:	-8.34(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C2=NN(C=C2NC(=O)C3=C4N=CC=CN4N=C3)CC5=CC=CC=N5

DOS

IR

Vibrations