Geometry & MOs

Info

ID:	205303
PubChem CID:	80083145
Reduced:	BrClON3C13H13 (1)
Stoich.:	ABCD3E13F13 (1)
Weight, g/mol:	361.98215
ΔH_f, kcal/mol:	0.57
Dipole, Da:	8.32
IP(EA), eV:	-8.89(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-chloroanilino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(=O)NC2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations