Geometry & MOs

Info

ID:	326345
PubChem CID:	126687369
Reduced:	NO2C25H33 (1)
Stoich.:	AB2C25D33 (1)
Weight, g/mol:	436.197377
ΔH_f, kcal/mol:	-91.07
Dipole, Da:	1.58
IP(EA), eV:	-8.71(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-ethyl-4-[(2S)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]pyrrolidin-1-yl]-1-(5-hydroxypyridin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CC2(C[C@@H]3CN(C[C@@H]3C2)CC(C)C4=CC=C(C=C4)O)O)C

DOS

IR

Vibrations