Geometry & MOs

Info

ID:	337027
PubChem CID:	127256592
Reduced:	NH5O5C7 (2)
Stoich.:	AB5C5D7 (2)
Weight, g/mol:	243.053158
ΔH_f, kcal/mol:	-344.66
Dipole, Da:	5.72
IP(EA), eV:	-10.98(-3.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(C2=NNC(=C12)C(=O)O)C(=O)O)C(=O)O)C(=O)O

DOS

IR

Vibrations