Geometry & MOs

Info

ID:	169485
PubChem CID:	75110352
Reduced:	Cl2N3O7C17H21 (1)
Stoich.:	A2B3C7D17E21 (1)
Weight, g/mol:	156.998717
ΔH_f, kcal/mol:	-292.95
Dipole, Da:	4.56
IP(EA), eV:	-9.09(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-nitro-3-oxoprop-1-en-1-olate;hydrate

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1O)Cl)CNCC2C(C(C(O2)N3CCC(=O)NC3=O)O)O)Cl

DOS

IR

Vibrations