Geometry & MOs

Info

ID:	340447
PubChem CID:	127262458
Reduced:	ClO2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	255.089543
ΔH_f, kcal/mol:	-135.06
Dipole, Da:	4.43
IP(EA), eV:	-9.44(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoate

Drug info:

PubChemData

Smile

COC(C1=CC=CC=C1C(=O)OC)OC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations