Geometry & MOs

Info

ID:	48399
PubChem CID:	10544508
Reduced:	NO4C18H37 (1)
Stoich.:	AB4C18D37 (1)
Weight, g/mol:	253.118832
ΔH_f, kcal/mol:	-181.81
Dipole, Da:	4.68
IP(EA), eV:	-10.68(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-methyl-9-nitro-3,5-dihydro-2H-1,4-benzoxazepin-4-ium-4-yl)ethanol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC[C@@H]([C@H](CO)[N+](=O)[O-])O

DOS

IR

Vibrations