Geometry & MOs

Info

ID:	27349
PubChem CID:	820865
Reduced:	ClNOH12C16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	347.152144
ΔH_f, kcal/mol:	18.8
Dipole, Da:	3.84
IP(EA), eV:	-9.43(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-benzoylanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CN=C2[C@@H](C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations