Geometry & MOs

Info

ID:	170972
PubChem CID:	75307326
Reduced:	N3O5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	297.132471
ΔH_f, kcal/mol:	-95.93
Dipole, Da:	7.97
IP(EA), eV:	-8.86(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=CC(=C3N=CC(=N3)C(C(C(CO)O)O)O)NO2

DOS

IR

Vibrations