Geometry & MOs

Info

ID:	68303
PubChem CID:	46508149
Reduced:	ON5C12H19 (1)
Stoich.:	AB5C12D19 (1)
Weight, g/mol:	357.102394
ΔH_f, kcal/mol:	16.88
Dipole, Da:	9.37
IP(EA), eV:	-10.52(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCC(C)NC(=O)CN1C=NC(=N1)C#N

DOS

IR

Vibrations