Geometry & MOs

Info

ID:	406396
PubChem CID:	135077465
Reduced:	N2O10C17H20 (1)
Stoich.:	A2B10C17D20 (1)
Weight, g/mol:	328.094688
ΔH_f, kcal/mol:	-230.32
Dipole, Da:	4.44
IP(EA), eV:	-9.76(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2-(2-methoxy-9H-xanthen-9-yl)-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C/C(=C\C1=C(C=CC(=C1OC)OC)[N+](=O)[O-])/C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations