Geometry & MOs

Info

ID:	419851
PubChem CID:	135109378
Reduced:	N3O5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	329.101171
ΔH_f, kcal/mol:	-123.02
Dipole, Da:	7.96
IP(EA), eV:	-9.15(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=CN=C2CN3C[C@]4(C[C@]4(C3)C(=O)O)C(=O)O

DOS

IR

Vibrations