Geometry & MOs

Info

ID:	328289
PubChem CID:	126700565
Reduced:	O3N4H18C19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	268.96876
ΔH_f, kcal/mol:	-16.93
Dipole, Da:	4.1
IP(EA), eV:	-8.31(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-1,3-benzoxazol-2-yl)methyl acetate

Drug info:

PubChemData

Smile

CCOC1=CC2=C3C(=C1)OCCCN3C(=N2)C4=CC5=C(C=C4)OC(=N5)N

DOS

IR

Vibrations