Geometry & MOs

Info

ID:	124193
PubChem CID:	50874428
Reduced:	BrClON2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	278.001368
ΔH_f, kcal/mol:	17.91
Dipole, Da:	2.38
IP(EA), eV:	-8.68(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(5-chloro-1,3-benzoxazol-2-yl)aniline

Drug info:

PubChemData

Smile

CCC1=CC2=C(C(=C1)Br)OC(=N2)C3=CC(=C(C=C3)N)Cl

DOS

IR

Vibrations