Geometry & MOs

Info

ID:	170971
PubChem CID:	75307325
Reduced:	N3O5C11H15 (1)
Stoich.:	A3B5C11D15 (1)
Weight, g/mol:	295.116821
ΔH_f, kcal/mol:	-115.52
Dipole, Da:	8.22
IP(EA), eV:	-8.9(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2N=CC(=N2)C(C(C(CO)O)O)O)ON1

DOS

IR

Vibrations