Geometry & MOs

Info

ID:

449137

PubChem CID:

135296276

Reduced:

FO2N4H27C31 (1)

Stoich.:

AB2C4D27E31 (1)

Weight, g/mol:

493.172559

ΔHf, kcal/mol:

22.74

Dipole, Da:

6.15

IP(EA), eV:

 -8.92(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[(3R,6R)-3-[2-(difluoromethoxy)phenyl]-11-fluoro-2,8-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),7,10,12-tetraen-12-yl]pyrimidin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC(C)(C1=NC=C(C=N1)C2=CC3=C(C=C2F)N=C4N3[C@H](C5[C@H]4C5)C6=CC=CC=C6OCC7=CC=CC=C7)O

DOS

IR

Vibrations