Geometry & MOs

Info

ID:	11693
PubChem CID:	119263
Reduced:	O3N4C11H14 (1)
Stoich.:	A3B4C11D14 (1)
Weight, g/mol:	250.10659
ΔH_f, kcal/mol:	18.44
Dipole, Da:	5.53
IP(EA), eV:	-9.62(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyl-5-nitroimidazol-2-yl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole

Drug info:

PubChemData

Smile

CN1C(=CN=C1C2=NOC3C2CCCC3)[N+](=O)[O-]

DOS

IR

Vibrations