Geometry & MOs

Info

ID:	3149
PubChem CID:	9228
Reduced:	NOH5C7 (1)
Stoich.:	ABC5D7 (1)
Weight, g/mol:	119.037114
ΔH_f, kcal/mol:	16.51
Dipole, Da:	1.63
IP(EA), eV:	-9.67(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzoxazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CO2

DOS

IR

Vibrations