Geometry & MOs

Info

ID:	416099
PubChem CID:	135089107
Reduced:	ClFN2O2C17H22 (1)
Stoich.:	ABC2D2E17F22 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-126.17
Dipole, Da:	4.98
IP(EA), eV:	-9.14(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]propoxy]benzamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=C(C(=CC=C3)Cl)F)CO

DOS

IR

Vibrations