Geometry & MOs

Info

ID:

326576

PubChem CID:

126687816

Reduced:

NO2F5C25H26 (1)

Stoich.:

AB2C5D25E26 (1)

Weight, g/mol:

505.243993

ΔHf, kcal/mol:

-323.2

Dipole, Da:

5.39

IP(EA), eV:

 -8.77(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3S)-6-[[(1R)-4-(azepan-1-ylmethyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]propane-1,1-diol

Drug info:

PubChemData

Smile

CC1COC2=C1C=CC(=C2)O[C@@H]3CCC4=C3C=CC(=C4CN5CCC(CC5)(F)F)C(F)(F)F

DOS

IR

Vibrations