Geometry & MOs

Info

ID:	417640
PubChem CID:	135102353
Reduced:	FON5C11H14 (1)
Stoich.:	ABC5D11E14 (1)
Weight, g/mol:	327.030978
ΔH_f, kcal/mol:	-13.12
Dipole, Da:	5.25
IP(EA), eV:	-9.33(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=NC(=NC=C1F)NCCCN2C=CN=C2

DOS

IR

Vibrations