Geometry & MOs

Info

ID:	170973
PubChem CID:	75307327
Reduced:	N3O5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	331.116821
ΔH_f, kcal/mol:	-128.87
Dipole, Da:	8.38
IP(EA), eV:	-8.82(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-phenyl-1,2-oxazol-3-ylidene)imidazol-4-yl]butane-1,2,3,4-tetrol

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C2N=CC(=N2)C(C(C(CO)O)O)O)NO1

DOS

IR

Vibrations