Geometry & MOs

Info

ID:	448555
PubChem CID:	135291818
Reduced:	N3O3C30H43 (1)
Stoich.:	A3B3C30D43 (1)
Weight, g/mol:	244.158706
ΔH_f, kcal/mol:	-117.26
Dipole, Da:	4.5
IP(EA), eV:	-8.06(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S)-4-ethoxy-3-fluoropiperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC3=C(C=CC(=C3)N4CCOCC4)C(C)C)OC

DOS

IR

Vibrations