Geometry & MOs

Info

ID:	174521
PubChem CID:	75776704
Reduced:	FO2N4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	510.167889
ΔH_f, kcal/mol:	-34.69
Dipole, Da:	5.44
IP(EA), eV:	-8.86(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)C1CCCN(C1)C2=C(C=C(C=C2)C3=NOC(=N3)C4=CC=CC=C4)F

DOS

IR

Vibrations