Geometry & MOs

Info

ID:	304087
PubChem CID:	124492760
Reduced:	BrN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	326.06299
ΔH_f, kcal/mol:	-92.44
Dipole, Da:	3.22
IP(EA), eV:	-9.66(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@@H]1C2=CN=C(C=C2)Br

DOS

IR

Vibrations