Geometry & MOs

Info

ID:

182996

PubChem CID:

76967875

Reduced:

NOF3C14H18 (1)

Stoich.:

ABC3D14E18 (1)

Weight, g/mol:

738.460788

ΔHf, kcal/mol:

-192.1

Dipole, Da:

3.7

IP(EA), eV:

 -8.76(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(2R)-2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]phenyl]-3-phenylpropan-1-one;1-[2-[(2S)-2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]phenyl]-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)N1CCO[C@@H](C1)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations