Geometry & MOs

Info

ID:	350255
PubChem CID:	127277333
Reduced:	SO3N6C17H24 (1)
Stoich.:	AB3C6D17E24 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-57.93
Dipole, Da:	4.08
IP(EA), eV:	-9.15(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(C)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)C

DOS

IR

Vibrations