Geometry & MOs

Info

ID:	174518
PubChem CID:	75776346
Reduced:	FO3N4C27H33 (1)
Stoich.:	AB3C4D27E33 (1)
Weight, g/mol:	482.232934
ΔH_f, kcal/mol:	-91.34
Dipole, Da:	6.17
IP(EA), eV:	-8.4(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NC(=NO1)C2=CC(=C(C=C2)N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)OCCC)F

DOS

IR

Vibrations