Geometry & MOs

Info

ID:

134785

PubChem CID:

51755519

Reduced:

NOC14H26 (2)

Stoich.:

ABC14D26 (2)

Weight, g/mol:

444.335193

ΔHf, kcal/mol:

-175.85

Dipole, Da:

4.2

IP(EA), eV:

 -9.21(0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,3R,5S)-N-[(1S)-2-(butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-hexyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCN([C@H](C(CC)CC)C(=O)NC(C)(C)C)C(=O)[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C

DOS

IR

Vibrations