Geometry & MOs

Info

ID:	341511
PubChem CID:	127264204
Reduced:	BrCl2N2C8H11 (1)
Stoich.:	AB2C2D8E11 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-37.64
Dipole, Da:	5.08
IP(EA), eV:	-9.56(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 1-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

Drug info:

PubChemData

Smile

C1CNCC2=C(C=NC=C21)Br.Cl.Cl

DOS

IR

Vibrations