Geometry & MOs

Info

ID:	136506
PubChem CID:	52052521
Reduced:	FN4O4C26H29 (1)
Stoich.:	AB4C4D26E29 (1)
Weight, g/mol:	430.16166
ΔH_f, kcal/mol:	-93.15
Dipole, Da:	2.8
IP(EA), eV:	-8.24(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-difluorophenyl)methyl]-1-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCCN(C)C(=O)C1CCN(CC1)C2=C(C=C(C=C2)C3=NOC(=N3)C4=CC5=C(C=C4)OCO5)F

DOS

IR

Vibrations