Geometry & MOs

Info

ID:	303897
PubChem CID:	124490731
Reduced:	BrNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	316.07864
ΔH_f, kcal/mol:	-105.17
Dipole, Da:	5.46
IP(EA), eV:	-9.65(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-[(2R)-2-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations