Geometry & MOs

Info

ID:	306449
PubChem CID:	125011767
Reduced:	SO3N6C18H18 (1)
Stoich.:	AB3C6D18E18 (1)
Weight, g/mol:	351.185924
ΔH_f, kcal/mol:	2.21
Dipole, Da:	5.85
IP(EA), eV:	-9.14(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-[(2-fluorophenyl)methyl]piperidin-2-yl]-4-(1H-imidazol-2-yl)-6-methylpyrimidine

Drug info:

PubChemData

Smile

C1CO[C@H](CN1S(=O)(=O)C2=CC=CC=C2)C3=CN=CC(=N3)NC4=NC=CC=N4

DOS

IR

Vibrations