Geometry & MOs

Info

ID:	45577
PubChem CID:	10515152
Reduced:	BrN2F3H6C7 (1)
Stoich.:	AB2C3D6E7 (1)
Weight, g/mol:	254.03063
ΔH_f, kcal/mol:	-137.17
Dipole, Da:	4.03
IP(EA), eV:	-8.86(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-7-ethyl-3,3-dimethyl-2H-1-benzofuran

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(F)(F)F)N)N)Br

DOS

IR

Vibrations