Geometry & MOs

Info

ID:	174923
PubChem CID:	75832708
Reduced:	O3N4C23H35 (1)
Stoich.:	A3B4C23D35 (1)
Weight, g/mol:	414.263091
ΔH_f, kcal/mol:	-52.71
Dipole, Da:	6.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755501
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

CC1CC(C[NH+](C1)C(C)(C)CNC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations