Geometry & MOs

Info

ID:	372233
PubChem CID:	131294517
Reduced:	BrN2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	219.050713
ΔH_f, kcal/mol:	44.72
Dipole, Da:	1.81
IP(EA), eV:	-8.53(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-amino-2-(difluoromethoxy)-4-fluorophenyl]ethanone

Drug info:

PubChemData

Smile

C1=CN2C=C(C=C2C(=C1)Br)CCN

DOS

IR

Vibrations