Geometry & MOs

Info

ID:

440853

PubChem CID:

135231867

Reduced:

O3F5N5H18C21 (1)

Stoich.:

A3B5C5D18E21 (1)

Weight, g/mol:

483.13298

ΔHf, kcal/mol:

-232.05

Dipole, Da:

9.81

IP(EA), eV:

 -9.37(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-(difluoromethoxy)phenyl]methyl]-N-(methylideneamino)-N'-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]ethanimidamide

Drug info:

PubChemData

Smile

CC1C(C=CC=C1OC(F)F)CN2C(=NC(=N2)C3=NC(=NO3)C4=CC=C(C=C4)OC(F)(F)F)C

DOS

IR

Vibrations