Geometry & MOs

Info

ID:	305516
PubChem CID:	124958298
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	301.15904
ΔH_f, kcal/mol:	-26.86
Dipole, Da:	3.53
IP(EA), eV:	-9.01(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-4-methylpyrimidine

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C[C@@]3(CCN(C3)C(=O)C4=CN=CS4)O

DOS

IR

Vibrations