Geometry & MOs

Info

ID:

179852

PubChem CID:

76543100

Reduced:

FOC19H24 (2)

Stoich.:

ABC19D24 (2)

Weight, g/mol:

589.135811

ΔHf, kcal/mol:

-149.69

Dipole, Da:

1.2

IP(EA), eV:

 -8.2(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[N-[[7a-(3,4-dimethoxyphenyl)-2-methyl-3,3a,4,5,6,7-hexahydro-1H-isoindol-5-yl]carbamoyl]-2,5-dichloroanilino] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC(=C(C=C1C=CC2=CC=C(C=C2)F)OCCCCCCCC)C=CC3=CC=C(C=C3)F

DOS

IR

Vibrations