Geometry & MOs

Info

ID:	295490
PubChem CID:	117531338
Reduced:	BrN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	238.111756
ΔH_f, kcal/mol:	-66.17
Dipole, Da:	3.48
IP(EA), eV:	-9.61(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1N)C(=O)OCC2=CC(=CC=C2)Br

DOS

IR

Vibrations