Geometry & MOs

Info

ID:	304091
PubChem CID:	124492810
Reduced:	BrN2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	268.05751
ΔH_f, kcal/mol:	-41.17
Dipole, Da:	4.71
IP(EA), eV:	-9.7(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyridine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations