Geometry & MOs

Info

ID:	145313
PubChem CID:	53497107
Reduced:	NO3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	267.089543
ΔH_f, kcal/mol:	-54.72
Dipole, Da:	1.71
IP(EA), eV:	-9.1(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzoxazol-2-yl)-5-methylphenyl] acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OC(=O)C)C2=NC3=CC=CC=C3O2

DOS

IR

Vibrations