Geometry & MOs

Info

ID:

320600

PubChem CID:

126661978

Reduced:

O4N5C30H45 (1)

Stoich.:

A4B5C30D45 (1)

Weight, g/mol:

593.35772

ΔHf, kcal/mol:

-115.14

Dipole, Da:

3.34

IP(EA), eV:

 -8.54(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-4-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]phenyl]-N-[(2Z)-4-hydroxy-3-(hydroxymethyl)-2-methoxyiminobutyl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(ON1)N2CCC(CC2)COC3=CC=C(C=C3)C4=CCC(CC4)C(=O)N5CCN(CC5)CCO

DOS

IR

Vibrations