Geometry & MOs

Info

ID:	420853
PubChem CID:	135114929
Reduced:	N2O4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	309.132471
ΔH_f, kcal/mol:	-134.85
Dipole, Da:	4.8
IP(EA), eV:	-8.52(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C3=CC(=O)C(=CN3)OC)OCC1

DOS

IR

Vibrations