Geometry & MOs

Info

ID:	403289
PubChem CID:	135059584
Reduced:	BrNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	292.105922
ΔH_f, kcal/mol:	-80.57
Dipole, Da:	1.95
IP(EA), eV:	-9.83(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl 5-nitro-1,3-benzoxazole-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCOC(=O)C1=NC2=C(O1)C=CC(=C2)Br

DOS

IR

Vibrations