Geometry & MOs

Info

ID:	82336
PubChem CID:	49855905
Reduced:	ClO3N7C22H22 (1)
Stoich.:	AB3C7D22E22 (1)
Weight, g/mol:	407.08975
ΔH_f, kcal/mol:	1.34
Dipole, Da:	8.98
IP(EA), eV:	-8.51(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN1C=C(C(=N1)C2=C(C=CC(=C2)Cl)OC)NC(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations