Geometry & MOs

Info

ID:	303134
PubChem CID:	124489256
Reduced:	BrON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	314.043
ΔH_f, kcal/mol:	-28.31
Dipole, Da:	2.98
IP(EA), eV:	-9.28(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-fluorophenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations