Geometry & MOs

Info

ID:	407222
PubChem CID:	135079593
Reduced:	ClNC19H26 (1)
Stoich.:	ABC19D26 (1)
Weight, g/mol:	421.131249
ΔH_f, kcal/mol:	120.05
Dipole, Da:	42.77
IP(EA), eV:	-5.79(-2.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclohexen-1-yl)pentoxycarbonylamino] 2,3,4,5,6-pentafluorobenzoate

Drug info:

PubChemData

Smile

CCCCCCCCC#CC#CC1=C(C=CC(=C1)C)[NH3+].[Cl-]

DOS

IR

Vibrations