Geometry & MOs

Info

ID:	289527
PubChem CID:	104359451
Reduced:	BrClNO3H7C14 (1)
Stoich.:	ABCD3E7F14 (1)
Weight, g/mol:	350.92978
ΔH_f, kcal/mol:	-42.66
Dipole, Da:	6.33
IP(EA), eV:	-9.89(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-2-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)Cl)C2=NC3=CC=CC(=C3O2)C(=O)O

DOS

IR

Vibrations