Geometry & MOs

Info

ID:	197700
PubChem CID:	78988191
Reduced:	BrN2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	276.087433
ΔH_f, kcal/mol:	-53.45
Dipole, Da:	4.6
IP(EA), eV:	-9.55(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,5-difluorophenyl)ethylamino]-6-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN(C)C(=O)C2=C(C=C(C=C2)Br)OC

DOS

IR

Vibrations