Geometry & MOs

Info

ID:	209467
PubChem CID:	80677617
Reduced:	BrON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	301.01137
ΔH_f, kcal/mol:	-21.21
Dipole, Da:	6.28
IP(EA), eV:	-8.37(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromopyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(=O)N2CCC(C2)Br

DOS

IR

Vibrations