Geometry & MOs

Info

ID:	197817
PubChem CID:	79003549
Reduced:	ON2F3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	342.05791
ΔH_f, kcal/mol:	-107.22
Dipole, Da:	7.82
IP(EA), eV:	-8.92(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(5-methylhexyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C(CNC2=C(C=C(C=C2)C#N)F)O)F

DOS

IR

Vibrations