Geometry & MOs

Info

ID:	146166
PubChem CID:	53646365
Reduced:	ClN2O3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	430.04469
ΔH_f, kcal/mol:	-96.05
Dipole, Da:	6.95
IP(EA), eV:	-9.3(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[[1-chloro-2-(dimethylamino)-2-oxoethylidene]amino] benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CN1C(=CC(=O)N(C1=O)C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations