Geometry & MOs

Info

ID:	304086
PubChem CID:	124492759
Reduced:	BrN2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	326.06299
ΔH_f, kcal/mol:	-40.64
Dipole, Da:	4.33
IP(EA), eV:	-9.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C3=CN=C(C=C3)Br

DOS

IR

Vibrations