Geometry & MOs

Info

ID:	268930
PubChem CID:	103602450
Reduced:	INOSBr2H12C14 (1)
Stoich.:	ABCDE2F12G14 (1)
Weight, g/mol:	451.00077
ΔH_f, kcal/mol:	34.2
Dipole, Da:	4.38
IP(EA), eV:	-9.45(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-iodo-N-(7-methyloctyl)benzamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(S1)Br)C(=O)C2=C(C=CC(=C2)Br)I

DOS

IR

Vibrations