Geometry & MOs

Info

ID:	304587
PubChem CID:	124756363
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	361.182398
ΔH_f, kcal/mol:	-65.89
Dipole, Da:	2.69
IP(EA), eV:	-8.83(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1C(=O)N2CCN(CC2)[C@H]3CCNC3

DOS

IR

Vibrations