Geometry & MOs

Info

ID:

315985

PubChem CID:

126629559

Reduced:

N7O7C28H33 (1)

Stoich.:

A7B7C28D33 (1)

Weight, g/mol:

484.247441

ΔHf, kcal/mol:

-232.53

Dipole, Da:

13.41

IP(EA), eV:

 -8.91(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[(5-hydroxy-2-methylphenyl)methyl-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]benzene-1,4-diol

Drug info:

PubChemData

Smile

CC(C(C(=O)NC1=NC(=O)C2=NC(=CN=C2N1)CNC3=CC=C(C=C3)C(=O)NC(=O)CCC(=O)C)C(C)(C)C)C(=O)O

DOS

IR

Vibrations