Geometry & MOs

Info

ID:	136433
PubChem CID:	52042124
Reduced:	ClON4C26H29 (1)
Stoich.:	ABC4D26E29 (1)
Weight, g/mol:	394.160518
ΔH_f, kcal/mol:	-7.47
Dipole, Da:	4.96
IP(EA), eV:	-8.6(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(2,6-difluorophenyl)-1-(4-phenylpyrimidin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=CC(=N3)C4=C(C=C(C=C4C)C)C)Cl

DOS

IR

Vibrations