Geometry & MOs

Info

ID:	11161
PubChem CID:	111539
Reduced:	N3O4C9H13 (1)
Stoich.:	A3B4C9D13 (1)
Weight, g/mol:	227.090606
ΔH_f, kcal/mol:	-55.34
Dipole, Da:	2.68
IP(EA), eV:	-9.79(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(dihydroxyamino)-6-iminocyclohexa-2,4-dien-1-ylidene]amino]propane-1,3-diol

Drug info:

PubChemData

Smile

C1=CC(=NC(CO)CO)C(=N)C=C1N(O)O

DOS

IR

Vibrations