Geometry & MOs

Info

ID:	445153
PubChem CID:	135264687
Reduced:	N3O5H19C21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	324.043233
ΔH_f, kcal/mol:	-126.83
Dipole, Da:	3.79
IP(EA), eV:	-9.25(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-4-chloro-6-[[2-(5-chloro-2-hydroxyanilino)ethylamino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC3=C(C2O)C=CC=C3OCC4=CC5=C(C=C4)OC=N5

DOS

IR

Vibrations