Geometry & MOs

Info

ID:

440781

PubChem CID:

135231445

Reduced:

FPO4N6C26H30 (1)

Stoich.:

ABC4D6E26F30 (1)

Weight, g/mol:

484.223432

ΔHf, kcal/mol:

-71.78

Dipole, Da:

6.15

IP(EA), eV:

 -9.1(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[amino-[4-(2-fluoropropan-2-yloxy)phenyl]methylidene]-1-[[1-(3-methoxypropyl)-2-oxopyridin-4-yl]methyl]-5-methyl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1CC2=CC(=CC=C2)C(=O)NC(C)(C)CO)C3=NC(=NO3)C4=CCC=C(C=C4)OC(C)(F)P

DOS

IR

Vibrations