Geometry & MOs

Info

ID:	351240
PubChem CID:	127279798
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	397.095997
ΔH_f, kcal/mol:	-77.61
Dipole, Da:	3.56
IP(EA), eV:	-9.31(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichlorophenoxy)-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)CC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations