Geometry & MOs

Info

ID:	14532
PubChem CID:	413817
Reduced:	C4N5O5H7 (1)
Stoich.:	A4B5C5D7 (1)
Weight, g/mol:	205.044718
ΔH_f, kcal/mol:	-56.3
Dipole, Da:	4.66
IP(EA), eV:	-10.69(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(N'-nitrocarbamimidoyl)-nitrosoamino]propanoic acid

Drug info:

PubChemData

Smile

C(CN(C(=N[N+](=O)[O-])N)N=O)C(=O)O

DOS

IR

Vibrations