Geometry & MOs

Info

ID:	82042
PubChem CID:	49855517
Reduced:	ON8C16H16 (1)
Stoich.:	AB8C16D16 (1)
Weight, g/mol:	339.180758
ΔH_f, kcal/mol:	113.47
Dipole, Da:	6.48
IP(EA), eV:	-8.7(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C#N)C2=C(C=NN2)NC(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations