Geometry & MOs

Info

ID:

429932

PubChem CID:

135169987

Reduced:

ClOF3N9H17C20 (1)

Stoich.:

ABC3D9E17F20 (1)

Weight, g/mol:

498.129329

ΔHf, kcal/mol:

3.68

Dipole, Da:

6.32

IP(EA), eV:

 -8.62(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-4,4,4-trifluoro-3-(1-methylisoquinolin-4-yl)imino-N-[5-phosphanyl-6-(triazol-2-yl)pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CC1=CN2C(=N1)C=CC=C2/N=C(/C(=C\N)/C(=O)NC3=CC(=CN(N=C3)/N=C\C=N)Cl)\C(F)(F)F

DOS

IR

Vibrations