Geometry & MOs

Info

ID:	295489
PubChem CID:	117531293
Reduced:	ClNO3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	298.03169
ΔH_f, kcal/mol:	-110.48
Dipole, Da:	1.89
IP(EA), eV:	-9.64(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromophenyl)methyl 3-aminopyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC1=O)C(=O)OCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations