Geometry & MOs

Info

ID:	21156
PubChem CID:	587359
Reduced:	NCl2O3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	323.011599
ΔH_f, kcal/mol:	-36.14
Dipole, Da:	5.16
IP(EA), eV:	-9.93(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5-chloro-2,3-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C(=CC1=NOC(=O)C2=CC=C(C=C2)Cl)Cl)C

DOS

IR

Vibrations