Geometry & MOs

Info

ID:	303137
PubChem CID:	124489259
Reduced:	BrClON2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	330.01345
ΔH_f, kcal/mol:	-26.85
Dipole, Da:	4.36
IP(EA), eV:	-9.34(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-chlorophenyl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations