Geometry & MOs

Info

ID:	209487
PubChem CID:	80678373
Reduced:	BrNOCl2C13H14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	295.02079
ΔH_f, kcal/mol:	-45.05
Dipole, Da:	4.79
IP(EA), eV:	-9.63(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromopyrrolidin-1-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC1CBr)C(=O)C2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations