Geometry & MOs

Info

ID:	279426
PubChem CID:	103843895
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	438.96439
ΔH_f, kcal/mol:	-143.81
Dipole, Da:	3.71
IP(EA), eV:	-9.15(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-iodobenzamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)NCC(CC)(CC)CO

DOS

IR

Vibrations