Geometry & MOs

Info

ID:

429925

PubChem CID:

135169980

Reduced:

ClO2F3N8H18C24 (1)

Stoich.:

AB2C3D8E18F24 (1)

Weight, g/mol:

508.194692

ΔHf, kcal/mol:

-51.84

Dipole, Da:

7.22

IP(EA), eV:

 -9.7(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[[(3Z)-3-(aminomethylidene)-1,1,1-trifluoro-4-[[5-methyl-6-(triazol-2-yl)pyridin-3-yl]amino]pent-4-en-2-ylidene]amino]isoquinolin-1-yl]ethanol

Drug info:

PubChemData

Smile

CC(C)(C1=NC=C(C2=CC=CC=C21)N3C(=C(C=N3)C(=O)NC4=CC(=C(N=C4)N5N=CC=N5)Cl)C(F)(F)F)O

DOS

IR

Vibrations