Geometry & MOs

Info

ID:	416986
PubChem CID:	135090979
Reduced:	ON4C17H20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	303.11384
ΔH_f, kcal/mol:	36.34
Dipole, Da:	4.38
IP(EA), eV:	-8.99(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(5-chloro-6-methylpyridin-2-yl)-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)CC3=CC=CC=C3C#N

DOS

IR

Vibrations