Geometry & MOs

Info

ID:

82863

PubChem CID:

49856708

Reduced:

N5O5C33H35 (1)

Stoich.:

A5B5C33D35 (1)

Weight, g/mol:

567.248169

ΔHf, kcal/mol:

-108.02

Dipole, Da:

4.56

IP(EA), eV:

 -8.85(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)dibenzofuran-1-yl]-3-(oxolan-2-ylmethylamino)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations