Geometry & MOs

Info

ID:	351339
PubChem CID:	127280227
Reduced:	BrO2N5C16H20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	378.263091
ΔH_f, kcal/mol:	23.6
Dipole, Da:	4.16
IP(EA), eV:	-9.34(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)C3=NNC(=C3Br)C4CC4

DOS

IR

Vibrations