Geometry & MOs

Info

ID:	204645
PubChem CID:	79992391
Reduced:	BrNO2S2C8H12 (1)
Stoich.:	ABC2D2E8F12 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-63.35
Dipole, Da:	6.59
IP(EA), eV:	-8.9(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(CS(=O)(=O)C)N)Br

DOS

IR

Vibrations