Geometry & MOs

Info

ID:

445505

PubChem CID:

135267496

Reduced:

OF3N4H17C25 (1)

Stoich.:

AB3C4D17E25 (1)

Weight, g/mol:

463.245805

ΔHf, kcal/mol:

-76.83

Dipole, Da:

3.95

IP(EA), eV:

 -9.32(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-fluoro-3-methoxy-N-[3-[methyl(propyl)amino]propyl]-4-[[(Z)-3-prop-2-enoxy-2-(trifluoromethyl)prop-2-enyl]amino]cyclohexa-2,4-diene-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N2C(=O)C=CC3=CN=C4C=CC(=NC4=C32)C5=CC(=CN=C5)C(F)(F)F

DOS

IR

Vibrations