Geometry & MOs

Info

ID:	326348
PubChem CID:	126687372
Reduced:	NO3C24H31 (1)
Stoich.:	AB3C24D31 (1)
Weight, g/mol:	438.213027
ΔH_f, kcal/mol:	-113.49
Dipole, Da:	2.84
IP(EA), eV:	-8.65(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(3S,4R)-3-ethyl-4-[(2S)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]pyrrolidin-1-yl]-1-hydroxyethyl]pyridin-3-ol

Drug info:

PubChemData

Smile

CC(CN1C[C@H]2CC(C[C@H]2C1)(CC3=CC(=CC=C3)OC)O)C4=CC=C(C=C4)O

DOS

IR

Vibrations