Geometry & MOs

Info

ID:	294725
PubChem CID:	117486116
Reduced:	BrNO4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	300.99497
ΔH_f, kcal/mol:	-132.59
Dipole, Da:	3.62
IP(EA), eV:	-9.06(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)-2-(methylamino)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C2C(=C1C(CC(=O)O)N)OCO2)Br

DOS

IR

Vibrations