Geometry & MOs

Info

ID:	2903
PubChem CID:	8803
Reduced:	NaN3O5C10H10 (1)
Stoich.:	AB3C5D10E10 (1)
Weight, g/mol:	275.051815
ΔH_f, kcal/mol:	-182.91
Dipole, Da:	4.13
IP(EA), eV:	-9.76(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;3-[(4-nitrophenyl)carbamoylamino]propanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)NCCC(=O)[O-])[N+](=O)[O-].[Na+]

DOS

IR

Vibrations