Geometry & MOs

Info

ID:	303133
PubChem CID:	124489255
Reduced:	BrON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	310.06808
ΔH_f, kcal/mol:	-28.5
Dipole, Da:	3.24
IP(EA), eV:	-9.29(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-1-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CNC[C@@H]1CCN(C1)C(=O)CC2=CC(=CC=C2)Br

DOS

IR

Vibrations