Geometry & MOs

Info

ID:	372276
PubChem CID:	131295325
Reduced:	BrO2N3C9H12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	187.02002
ΔH_f, kcal/mol:	-40.49
Dipole, Da:	10.03
IP(EA), eV:	-8.94(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-3-chloro-4-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

CC1CN(C2=C(C(=NN2C1)C(=O)O)Br)C

DOS

IR

Vibrations