Geometry & MOs

Info

ID:

446839

PubChem CID:

135278089

Reduced:

N3P3O6C58H58 (1)

Stoich.:

A3B3C6D58E58 (1)

Weight, g/mol:

467.254833

ΔHf, kcal/mol:

-212.41

Dipole, Da:

3.84

IP(EA), eV:

 -8.33(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-1-(5-tert-butyl-4H-pyrazol-3-yl)-N-methyl-7-[4-[4-(trifluoromethyl)phenyl]phenyl]hept-2-en-4-imine

Drug info:

PubChemData

Smile

CC1N=P(N=P(N=P1(OC2=CC=CC=C2)OC3=CC=C(C=C3)C(C)(C)C4=CC=C(C=C4)C)(OC5=CC=CC=C5)OC6=CC=C(C=C6)C(C)(C)C7=CC=C(C=C7)C)(OC8=CC=CC=C8)OC9=CC=CC=C9

DOS

IR

Vibrations