Geometry & MOs

Info

ID:	124194
PubChem CID:	50874437
Reduced:	OCl2N2H8C13 (1)
Stoich.:	AB2C2D8E13 (1)
Weight, g/mol:	311.962396
ΔH_f, kcal/mol:	18.3
Dipole, Da:	4.48
IP(EA), eV:	-8.75(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=NC3=C(O2)C=CC(=C3)Cl)Cl)N

DOS

IR

Vibrations