Geometry & MOs

Info

ID:	370639
PubChem CID:	127339798
Reduced:	ON4C23H24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	324.169859
ΔH_f, kcal/mol:	39.89
Dipole, Da:	2.76
IP(EA), eV:	-8.56(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC5=CC=CC=C54

DOS

IR

Vibrations