Geometry & MOs

Info

ID:	338362
PubChem CID:	127259054
Reduced:	N3O3C12H13 (1)
Stoich.:	A3B3C12D13 (1)
Weight, g/mol:	314.079038
ΔH_f, kcal/mol:	-81.42
Dipole, Da:	5.77
IP(EA), eV:	-9.04(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxy-9-oxoxanthen-3-yl)oxyethyl acetate

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1NC(=O)OC(=O)C

DOS

IR

Vibrations