Geometry & MOs

Info

ID:

322865

PubChem CID:

126671487

Reduced:

O4N5C30H41 (1)

Stoich.:

A4B5C30D41 (1)

Weight, g/mol:

458.289306

ΔHf, kcal/mol:

-105.33

Dipole, Da:

6.0

IP(EA), eV:

 -9.08(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[[1-(4-cyanophenyl)ethylamino]-hydroxymethyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CON=C2C)C(C)NC(=O)C3CC(CN3C(=O)C(C(C)C)N4C=C(C=N4)C(C)(C)C)O

DOS

IR

Vibrations