Geometry & MOs

Info

ID:

82784

PubChem CID:

49856520

Reduced:

N5O5C33H35 (1)

Stoich.:

A5B5C33D35 (1)

Weight, g/mol:

636.306018

ΔHf, kcal/mol:

-98.87

Dipole, Da:

9.87

IP(EA), eV:

 -8.67(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(2-morpholin-4-yl-4-oxo-1H-quinolin-8-yl)dibenzofuran-1-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCO)CC(=O)NC2=C3C4=CC=CC=C4OC3=C(C=C2)C5=CC=CC6=C5NC(=CC6=O)N7CCOCC7

DOS

IR

Vibrations