Geometry & MOs

Info

ID:

82671

PubChem CID:

49856314

Reduced:

O2F3H25C30 (1)

Stoich.:

A2B3C25D30 (1)

Weight, g/mol:

637.301267

ΔHf, kcal/mol:

-114.61

Dipole, Da:

3.71

IP(EA), eV:

 -8.98(-0.57)

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]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C#C[C@@](C1=CC2=CC=CC=C2C=C1)(C(F)(F)F)O)OC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations