Geometry & MOs

Info

ID:	304090
PubChem CID:	124492794
Reduced:	BrON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	360.04734
ΔH_f, kcal/mol:	-33.03
Dipole, Da:	2.32
IP(EA), eV:	-9.67(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-(2-bromopyridin-3-yl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1CCCC[C@@H]1C2=CN=C(C=C2)Br

DOS

IR

Vibrations