Geometry & MOs

Info

ID:	32072
PubChem CID:	4265955
Reduced:	ClN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	483.058176
ΔH_f, kcal/mol:	-87.59
Dipole, Da:	5.32
IP(EA), eV:	-8.61(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[4-[[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]carbamoyl]phenyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)CC2=C(C=CC(=C2)Cl)O

DOS

IR

Vibrations