Geometry & MOs

Info

ID:

314497

PubChem CID:

126621935

Reduced:

FO3N6H25C27 (1)

Stoich.:

AB3C6D25E27 (1)

Weight, g/mol:

430.152016

ΔHf, kcal/mol:

-12.26

Dipole, Da:

4.69

IP(EA), eV:

 -8.76(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl)methyl]-1-ethylpiperazin-2-one

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC3=C2OC4=C3C=C(C=N4)CN5C[C@@H]6C[C@H]5CO6)C7=C8C=CNC8=CC(=C7)F

DOS

IR

Vibrations