Geometry & MOs

Info

ID:	294431
PubChem CID:	117460557
Reduced:	BrFON3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	285.00006
ΔH_f, kcal/mol:	-28.88
Dipole, Da:	4.25
IP(EA), eV:	-9.11(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1F)Br)O)C2=C(NN=C2)N

DOS

IR

Vibrations