Geometry & MOs

Info

ID:	333478
PubChem CID:	127252030
Reduced:	ON5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	360.195011
ΔH_f, kcal/mol:	43.99
Dipole, Da:	5.19
IP(EA), eV:	-8.77(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-1-[2-[6-(1H-pyrazol-4-yl)pyridin-3-yl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=C(C=C2)C3=CN=C(N=C3)N)C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations