Geometry & MOs

Info

ID:	419474
PubChem CID:	135108257
Reduced:	ON4C14H24 (1)
Stoich.:	AB4C14D24 (1)
Weight, g/mol:	327.030978
ΔH_f, kcal/mol:	-30.12
Dipole, Da:	3.91
IP(EA), eV:	-8.4(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-(2-chloro-6-fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CCCOC1CCCN(C1)C2=NC(=NC=C2CC)N

DOS

IR

Vibrations