Geometry & MOs

Info

ID:

376008

PubChem CID:

134222008

Reduced:

N2O5C33H38 (1)

Stoich.:

A2B5C33D38 (1)

Weight, g/mol:

479.125074

ΔHf, kcal/mol:

-193.34

Dipole, Da:

3.95

IP(EA), eV:

 -8.45(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(E)-3-(3-chloro-4-fluoro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-1-amine

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=O)N2CCC3=C2C=C(C(=C3C4=C(C5=C(C(=C4)C)OCCC5)C)[C@@H](C(=O)O)OC(C)(C)C)C

DOS

IR

Vibrations