Geometry & MOs

Info

ID:	418608
PubChem CID:	135106191
Reduced:	NF2O5H13C15 (1)
Stoich.:	AB2C5D13E15 (1)
Weight, g/mol:	298.168128
ΔH_f, kcal/mol:	-255.4
Dipole, Da:	6.9
IP(EA), eV:	-10.26(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[2-(4-hydroxyphenyl)ethyl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)C(=O)CC3=C(C(=CC=C3)F)F)C(=O)O)C(=O)O

DOS

IR

Vibrations