Geometry & MOs

Info

ID:	19852
PubChem CID:	574110
Reduced:	N3O5C9H11 (1)
Stoich.:	A3B5C9D11 (1)
Weight, g/mol:	241.06987
ΔH_f, kcal/mol:	-120.77
Dipole, Da:	7.61
IP(EA), eV:	-9.52(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-11,12-dihydroxy-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]trideca-4,6-dien-3-one

Drug info:

PubChemData

Smile

C1C2C(C(C(O2)N3C(=CC(=NC3=O)N)O1)O)O

DOS

IR

Vibrations