Geometry & MOs

Info

ID:	143214
PubChem CID:	53165634
Reduced:	OF3N5C22H26 (1)
Stoich.:	AB3C5D22E26 (1)
Weight, g/mol:	343.237211
ΔH_f, kcal/mol:	-145.32
Dipole, Da:	3.26
IP(EA), eV:	-8.54(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-piperidin-1-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=NC=C2N3CCC(CC3)C(=O)NCC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations