Geometry & MOs

Info

ID:	136434
PubChem CID:	52042348
Reduced:	OF2N4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	386.210661
ΔH_f, kcal/mol:	-47.17
Dipole, Da:	4.24
IP(EA), eV:	-9.08(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(1S)-1-phenylethyl]-1-(4-phenylpyrimidin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC=CC(=N2)C3=CC=CC=C3)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations