Geometry & MOs

Info

ID:	83302
PubChem CID:	49857424
Reduced:	ClO3N6H21C22 (1)
Stoich.:	AB3C6D21E22 (1)
Weight, g/mol:	507.178565
ΔH_f, kcal/mol:	28.25
Dipole, Da:	11.09
IP(EA), eV:	-8.33(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(COC1)CN2C(=C(C=N2)NC(=O)C3=C4N=CC=CN4N=C3)C5=C(C=CC(=C5)Cl)OC

DOS

IR

Vibrations