Geometry & MOs

Info

ID:	82039
PubChem CID:	49855514
Reduced:	O2N7C15H17 (1)
Stoich.:	A2B7C15D17 (1)
Weight, g/mol:	329.140036
ΔH_f, kcal/mol:	30.08
Dipole, Da:	6.26
IP(EA), eV:	-8.81(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1O)C2=C(C=NN2)NC(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations