Geometry & MOs

Info

ID:	283558
PubChem CID:	103988950
Reduced:	BrINOC10H11 (1)
Stoich.:	ABCDE10F11 (1)
Weight, g/mol:	286.97125
ΔH_f, kcal/mol:	-18.25
Dipole, Da:	3.93
IP(EA), eV:	-9.64(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-2-chlorophenyl)-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)I)Br

DOS

IR

Vibrations