Geometry & MOs

Info

ID:	303132
PubChem CID:	124489254
Reduced:	BrN2O2C15H17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	310.06808
ΔH_f, kcal/mol:	-29.37
Dipole, Da:	3.02
IP(EA), eV:	-9.24(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC[C@H]1CCN(C1)C(=O)C2=CC3=C(O2)C(=CC=C3)Br

DOS

IR

Vibrations