Geometry & MOs

Info

ID:	260975
PubChem CID:	103212192
Reduced:	ClNF3O3C10H17 (1)
Stoich.:	ABC3D3E10F17 (1)
Weight, g/mol:	426.88355
ΔH_f, kcal/mol:	-310.31
Dipole, Da:	5.74
IP(EA), eV:	-9.77(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-3-chloro-N-cyclopropyl-4-iodobenzamide

Drug info:

PubChemData

Smile

CN(CC(COC)Cl)C(=O)CCOCC(F)(F)F

DOS

IR

Vibrations