Geometry & MOs

Info

ID:	267783
PubChem CID:	103589155
Reduced:	BrClON2F3H7C12 (1)
Stoich.:	ABCD2E3F7G12 (1)
Weight, g/mol:	318.00039
ΔH_f, kcal/mol:	-144.98
Dipole, Da:	3.02
IP(EA), eV:	-9.14(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-5-bromophenoxy)-4-methoxybenzonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1OC2=C(C=C(C=N2)C(F)(F)F)Cl)Br)N

DOS

IR

Vibrations