Geometry & MOs

Info

ID:	230651
PubChem CID:	87571565
Reduced:	ClNO6C9H16 (1)
Stoich.:	ABC6D9E16 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-209.46
Dipole, Da:	2.09
IP(EA), eV:	-11.26(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,3R)-3-[benzyl(carboxy)amino]-1-diazonio-4-methylpent-1-en-2-olate

Drug info:

PubChemData

Smile

C[C@H](CCCCCC(OC(=O)O)Cl)O[N+](=O)[O-]

DOS

IR

Vibrations