Geometry & MOs

Info

ID:	349730
PubChem CID:	127275882
Reduced:	SO3N5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-31.7
Dipole, Da:	4.64
IP(EA), eV:	-9.07(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethyl-1-adamantyl)-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)C2CCCN(C2)C(=O)CN3C=NC4=C(C3=O)C=CS4

DOS

IR

Vibrations