Geometry & MOs

Info

ID:

315173

PubChem CID:

126624761

Reduced:

PO2F3N6C25H30 (1)

Stoich.:

AB2C3D6E25F30 (1)

Weight, g/mol:

477.207563

ΔHf, kcal/mol:

-183.67

Dipole, Da:

3.37

IP(EA), eV:

 -8.31(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(Z)-1-(3,3-difluorobutan-2-ylideneamino)-2-(methylideneamino)ethenyl]-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CPN1C2=NC=CC(=C2C(=N1)N[C@@H]3CCCNC3)OC4=CC=C(C=C4)C(=O)N5CCCC(C5)C(F)(F)F

DOS

IR

Vibrations