Geometry & MOs

Info

ID:	136430
PubChem CID:	52041462
Reduced:	FON5C26H28 (1)
Stoich.:	ABC5D26E28 (1)
Weight, g/mol:	422.191818
ΔH_f, kcal/mol:	1.9
Dipole, Da:	2.61
IP(EA), eV:	-8.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-difluorophenyl)-1-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C4=NC=CC(=N4)C5=CC=CC=C5

DOS

IR

Vibrations