Geometry & MOs

Info

ID:	273888
PubChem CID:	103805657
Reduced:	O2N4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	-89.5
Dipole, Da:	3.28
IP(EA), eV:	-8.94(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-hydroxyhexyl)-5-nitro-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]1C(=O)NCCN2CCNCC2

DOS

IR

Vibrations