Geometry & MOs

Info

ID:	194186
PubChem CID:	78495794
Reduced:	NO3H19C24 (1)
Stoich.:	AB3C19D24 (1)
Weight, g/mol:	395.03031
ΔH_f, kcal/mol:	-22.59
Dipole, Da:	3.39
IP(EA), eV:	-9.63(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=CC=C2C3=CC=CC=C3C#N

DOS

IR

Vibrations