Geometry & MOs

Info

ID:	363013
PubChem CID:	127310038
Reduced:	O3N5C17H27 (1)
Stoich.:	A3B5C17D27 (1)
Weight, g/mol:	374.231791
ΔH_f, kcal/mol:	-80.13
Dipole, Da:	7.41
IP(EA), eV:	-9.28(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)[C@@H]3CCCN3C(=O)C

DOS

IR

Vibrations