Geometry & MOs

Info

ID:	345651
PubChem CID:	127269951
Reduced:	SN6C13H20 (1)
Stoich.:	AB6C13D20 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	96.19
Dipole, Da:	1.21
IP(EA), eV:	-8.61(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SCC2=NN=C(N2C)C3CC3

DOS

IR

Vibrations