Geometry & MOs

Info

ID:	418766
PubChem CID:	135106740
Reduced:	NF2O2C19H25 (1)
Stoich.:	AB2C2D19E25 (1)
Weight, g/mol:	382.203862
ΔH_f, kcal/mol:	-185.45
Dipole, Da:	5.19
IP(EA), eV:	-9.28(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-4-hydroxy-1-[5-(piperidin-1-ylmethyl)pyridin-2-yl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)CCC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations