Geometry & MOs

Info

ID:	422814
PubChem CID:	135118461
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	307.085601
ΔH_f, kcal/mol:	6.24
Dipole, Da:	1.53
IP(EA), eV:	-8.28(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)NCCN3CCC4=CC=CC=C43

DOS

IR

Vibrations