Geometry & MOs

Info

ID:	373632
PubChem CID:	131318088
Reduced:	BrNO3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	268.96876
ΔH_f, kcal/mol:	-73.83
Dipole, Da:	2.22
IP(EA), eV:	-9.82(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(bromomethyl)-1,3-benzoxazole-7-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C(=CC=C1)OC(=N2)CBr

DOS

IR

Vibrations