Geometry & MOs

Info

ID:	197706
PubChem CID:	78988586
Reduced:	BrNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	343.07831
ΔH_f, kcal/mol:	-114.15
Dipole, Da:	3.9
IP(EA), eV:	-9.53(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-methoxy-N-[2-(3-methylbutoxy)ethyl]benzamide

Drug info:

PubChemData

Smile

CCOCC(C)NC(=O)C1=C(C=C(C=C1)Br)OC

DOS

IR

Vibrations