Geometry & MOs

Info

ID:

66233

PubChem CID:

46500471

Reduced:

NO2F3H20C21 (1)

Stoich.:

AB2C3D20E21 (1)

Weight, g/mol:

391.139528

ΔHf, kcal/mol:

-189.65

Dipole, Da:

8.96

IP(EA), eV:

-8.94(-0.76)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2,2,2-trifluoro-1-[1-[3-(2-methoxyphenoxy)propyl]-2-methylindol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCCN2C(=C(C3=CC=CC=C32)C(=O)C(F)(F)F)C

DOS

IR

Vibrations