Geometry & MOs

Info

ID:	283750
PubChem CID:	104003937
Reduced:	BrClNO3C12H13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	406.93817
ΔH_f, kcal/mol:	-114.19
Dipole, Da:	1.89
IP(EA), eV:	-9.92(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(1-cyclobutylethyl)-5-iodobenzamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)C2=C(C(=CC=C2)Br)Cl)O

DOS

IR

Vibrations