Geometry & MOs

Info

ID:	372538
PubChem CID:	131299395
Reduced:	BrNO3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	284.96367
ΔH_f, kcal/mol:	-67.82
Dipole, Da:	6.93
IP(EA), eV:	-9.61(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-bromo-2-oxo-3H-1,3-benzoxazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C=CC=C(C2=NC(=O)C1C(=O)O)Br

DOS

IR

Vibrations