Geometry & MOs

Info

ID:	54639
PubChem CID:	17389023
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	298.058971
ΔH_f, kcal/mol:	-37.74
Dipole, Da:	6.02
IP(EA), eV:	-8.93(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-nitro-1,3-benzoxazol-2-yl)phenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)N(CC2=NC3=CC=CC=C3N2)C(=O)C4CCCCC4

DOS

IR

Vibrations