Geometry & MOs

Info

ID:	421656
PubChem CID:	135116386
Reduced:	ClFON3C16H17 (1)
Stoich.:	ABCD3E16F17 (1)
Weight, g/mol:	305.126323
ΔH_f, kcal/mol:	-33.11
Dipole, Da:	0.87
IP(EA), eV:	-8.99(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(C=C(C=N2)Cl)F)OCC3=CC=CC=N3

DOS

IR

Vibrations