Geometry & MOs

Info

ID:	209470
PubChem CID:	80677638
Reduced:	BrON3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	306.98196
ΔH_f, kcal/mol:	-25.31
Dipole, Da:	4.82
IP(EA), eV:	-9.29(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromopyrrolidin-1-yl)-(2,4,6-trifluorophenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)N2CCC(CC2)CBr

DOS

IR

Vibrations