Geometry & MOs

Info

ID:	260985
PubChem CID:	103213063
Reduced:	BrNO2F3H9C10 (1)
Stoich.:	ABC2D3E9F10 (1)
Weight, g/mol:	434.85225
ΔH_f, kcal/mol:	-210.36
Dipole, Da:	5.0
IP(EA), eV:	-8.98(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-2-bromophenyl)-(3-chloro-4-iodophenyl)methanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N)Br)C(=O)COCC(F)(F)F

DOS

IR

Vibrations