Geometry & MOs

Info

ID:	209483
PubChem CID:	80678109
Reduced:	BrNOC16H20 (1)
Stoich.:	ABCD16E20 (1)
Weight, g/mol:	350.90927
ΔH_f, kcal/mol:	-17.44
Dipole, Da:	4.18
IP(EA), eV:	-9.36(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-fluorophenyl)-(3-bromopyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC1CBr)C(=O)C2(CC2)C3=CC=CC=C3

DOS

IR

Vibrations