Geometry & MOs

Info

ID:	82041
PubChem CID:	49855516
Reduced:	ON7C15H17 (1)
Stoich.:	AB7C15D17 (1)
Weight, g/mol:	336.144707
ΔH_f, kcal/mol:	80.05
Dipole, Da:	6.63
IP(EA), eV:	-8.48(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(C1)C2=C(C=NN2)NC(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations