Geometry & MOs

Info

ID:	83466
PubChem CID:	49857624
Reduced:	ClO3N6H21C22 (1)
Stoich.:	AB3C6D21E22 (1)
Weight, g/mol:	347.130614
ΔH_f, kcal/mol:	-6.54
Dipole, Da:	7.87
IP(EA), eV:	-8.25(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(3,3-difluoropiperidin-1-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CN1C=C(C(=N1)C2=CC(=CC3=C2OCC3)Cl)NC(=O)C4=C5N=CC=CN5N=C4)O

DOS

IR

Vibrations