Geometry & MOs

Info

ID:	261693
PubChem CID:	103245821
Reduced:	N2O4C11H12 (1)
Stoich.:	A2B4C11D12 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	-49.67
Dipole, Da:	2.62
IP(EA), eV:	-9.94(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2-nitrophenyl)methylamino]methyl]oxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC/C=C/C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations