Geometry & MOs

Info

ID:	376882
PubChem CID:	134222912
Reduced:	ClO3N4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	226.011353
ΔH_f, kcal/mol:	-86.28
Dipole, Da:	4.26
IP(EA), eV:	-9.24(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-formyloxy-5-hydroxyphthalic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=NC=C(C=C1)C(C2=CNC3=C2C=C(C=N3)Cl)O

DOS

IR

Vibrations