Geometry & MOs

Info

ID:

196529

PubChem CID:

78844676

Reduced:

O2F3N3C23H26 (1)

Stoich.:

A2B3C3D23E26 (1)

Weight, g/mol:

321.139865

ΔHf, kcal/mol:

-211.14

Dipole, Da:

5.47

IP(EA), eV:

-9.44(-1.43)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

cyclohexyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4N=C3)C(F)(F)F

DOS

IR

Vibrations