Geometry & MOs

Info

ID:	289526
PubChem CID:	104359450
Reduced:	ClNOBr2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	350.92978
ΔH_f, kcal/mol:	17.44
Dipole, Da:	2.89
IP(EA), eV:	-9.58(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-2-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)Cl)C2=C(N=CO2)CBr

DOS

IR

Vibrations