Geometry & MOs

Info

ID:	83036
PubChem CID:	49857041
Reduced:	ClO2N7C23H24 (1)
Stoich.:	AB2C7D23E24 (1)
Weight, g/mol:	454.152016
ΔH_f, kcal/mol:	49.01
Dipole, Da:	10.11
IP(EA), eV:	-8.32(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(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=C(C=NN2CC3CCNCC3)NC(=O)C4=C5N=CC=CN5N=C4

DOS

IR

Vibrations