Geometry & MOs

Info

ID:	362918
PubChem CID:	127309756
Reduced:	FO2N3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	364.258674
ΔH_f, kcal/mol:	-90.41
Dipole, Da:	6.26
IP(EA), eV:	-9.32(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1CNC(=O)N3CCN(CC3)C(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations