Geometry & MOs

Info

ID:	310078
PubChem CID:	126573923
Reduced:	FN2O6C40H51 (1)
Stoich.:	AB2C6D40E51 (1)
Weight, g/mol:	184.084792
ΔH_f, kcal/mol:	-274.84
Dipole, Da:	6.52
IP(EA), eV:	-8.85(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(methylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)COC2CCOCC2)C3=CC=C(C=C3)OCCC4=CC=C(C=C4)F)N5CCC6(CCC6)CC5)[C@@H](C(=O)O)OC(C)(C)C

DOS

IR

Vibrations