Geometry & MOs

Info

ID:

47134

PubChem CID:

10529872

Reduced:

N2O7C28H40 (1)

Stoich.:

A2B7C28D40 (1)

Weight, g/mol:

480.310041

ΔHf, kcal/mol:

-297.91

Dipole, Da:

3.29

IP(EA), eV:

 -9.85(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(aminomethyl)-N-[(2S)-1-(3-methylbutylamino)-1-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-yl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC([C@@H]3[C@@H]([C@@H]([C@]2(O1)C)OC(=O)NCCC4=CC=CC=N4)O)(C)C)O)C)O)C=C

DOS

IR

Vibrations