Geometry & MOs

Info

ID:	366857
PubChem CID:	127320545
Reduced:	BrNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	379.221954
ΔH_f, kcal/mol:	-61.49
Dipole, Da:	3.74
IP(EA), eV:	-9.43(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)C2=COC(=C2)Br

DOS

IR

Vibrations