Geometry & MOs

Info

ID:	83035
PubChem CID:	49857040
Reduced:	ClO3N6C23H23 (1)
Stoich.:	AB3C6D23E23 (1)
Weight, g/mol:	465.168001
ΔH_f, kcal/mol:	-5.25
Dipole, Da:	4.94
IP(EA), eV:	-8.36(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(5-chloro-2-methoxyphenyl)-1-(piperidin-4-ylmethyl)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(CCCC5)O

DOS

IR

Vibrations