Geometry & MOs

Info

ID:

375968

PubChem CID:

134221965

Reduced:

FO8C45H49 (1)

Stoich.:

AB8C45D49 (1)

Weight, g/mol:

519.08405

ΔHf, kcal/mol:

-282.64

Dipole, Da:

4.11

IP(EA), eV:

 -8.9(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-cyano-4-[(E)-3-(3,4-dichloro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]-1,2,4-triazol-3-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1(OC[C@@H]2C(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