Geometry & MOs

Info

ID:	82038
PubChem CID:	49855513
Reduced:	N3O3C27H35 (1)
Stoich.:	A3B3C27D35 (1)
Weight, g/mol:	327.144373
ΔH_f, kcal/mol:	-78.8
Dipole, Da:	8.22
IP(EA), eV:	-8.72(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C(=O)CN3CCN(CC3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations