Geometry & MOs

Info

ID:	415747
PubChem CID:	135088747
Reduced:	FN2O2C18H27 (1)
Stoich.:	AB2C2D18E27 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-120.57
Dipole, Da:	5.96
IP(EA), eV:	-8.53(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-3-(1-methylpyrrol-2-yl)propanamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)CC3=C(C=CC=C3F)OC)CO

DOS

IR

Vibrations