Geometry & MOs

Info

ID:

82522

PubChem CID:

49856133

Reduced:

N5O5C32H33 (1)

Stoich.:

A5B5C32D33 (1)

Weight, g/mol:

582.259068

ΔHf, kcal/mol:

-109.98

Dipole, Da:

6.73

IP(EA), eV:

 -8.53(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[4-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)dibenzofuran-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=C3C4=CC=CC=C4OC3=C(C=C2)C5=CC=CN6C5=NC(=CC6=O)N7CCOCC7

DOS

IR

Vibrations