Geometry & MOs

Info

ID:	304085
PubChem CID:	124492728
Reduced:	ClN2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	360.04734
ΔH_f, kcal/mol:	6.06
Dipole, Da:	4.08
IP(EA), eV:	-8.82(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-(6-bromopyridin-3-yl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCN1CCCC[C@@H]1C2=C(N=CC=C2)Cl

DOS

IR

Vibrations