Geometry & MOs

Info

ID:	373801
PubChem CID:	131320171
Reduced:	BrClO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	237.06689
ΔH_f, kcal/mol:	-91.27
Dipole, Da:	3.72
IP(EA), eV:	-9.89(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-aminophenyl)ethyl]-4-chloro-1H-imidazol-2-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)CBr)CCCCl

DOS

IR

Vibrations