Geometry & MOs

Info

ID:	133695
PubChem CID:	51576226
Reduced:	FN3O3C24H30 (1)
Stoich.:	AB3C3D24E30 (1)
Weight, g/mol:	409.225308
ΔH_f, kcal/mol:	-136.65
Dipole, Da:	2.29
IP(EA), eV:	-8.85(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2-[[4-(dimethylamino)phenyl]-(4,4-dimethyl-2-oxido-6-oxocyclohexen-1-yl)methyl]-5,5-dimethyl-3-oxocyclohexen-1-olate

Drug info:

PubChemData

Smile

C1CCN(CC1)[C@@H](CNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F)C4=CC=CO4

DOS

IR

Vibrations