Geometry & MOs

Info

ID:	82650
PubChem CID:	49856285
Reduced:	ClO4N8C23H23 (1)
Stoich.:	AB4C8D23E23 (1)
Weight, g/mol:	490.126864
ΔH_f, kcal/mol:	-3.93
Dipole, Da:	6.76
IP(EA), eV:	-8.33(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(3-cyanoazetidin-1-yl)-2-oxoethyl]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)CC(=O)NN5CCOCC5

DOS

IR

Vibrations