Geometry & MOs

Info

ID:	82337
PubChem CID:	49855906
Reduced:	ClO2N7H14C19 (1)
Stoich.:	AB2C7D14E19 (1)
Weight, g/mol:	321.097423
ΔH_f, kcal/mol:	95.82
Dipole, Da:	9.47
IP(EA), eV:	-8.52(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-oxopyridin-1-yl)-1H-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#N

DOS

IR

Vibrations