Geometry & MOs

Info

ID:

376070

PubChem CID:

134222072

Reduced:

FO8C45H49 (1)

Stoich.:

AB8C45D49 (1)

Weight, g/mol:

441.062252

ΔHf, kcal/mol:

-269.18

Dipole, Da:

5.81

IP(EA), eV:

 -8.68(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(aminomethylidene)-N'-[4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]-2-oxopropanimidamide

Drug info:

PubChemData

Smile

CC1(OCC2C(O1)C(C(O2)OCC(C(C(COCC3=CC4=CC=CC=C4C=C3)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)F)C

DOS

IR

Vibrations