Geometry & MOs

Info

ID:

222812

PubChem CID:

85332605

Reduced:

SN4O4C29H40 (1)

Stoich.:

AB4C4D29E40 (1)

Weight, g/mol:

540.20027

ΔHf, kcal/mol:

-146.9

Dipole, Da:

6.95

IP(EA), eV:

 -9.53(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroindol-1-yl]-2-methyl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-one;hydrochloride

Drug info:

PubChemData

Smile

CCN(CC1=C(S(=O)(=O)NC1(C)C)C2=CC=CC=C2)C(=O)C(CCCC3=CC=CC=C3)NC(=O)C(C)(C)N

DOS

IR

Vibrations