Geometry & MOs

Info

ID:	235427
PubChem CID:	92708786
Reduced:	SO2N5C19H27 (1)
Stoich.:	AB2C5D19E27 (1)
Weight, g/mol:	369.221641
ΔH_f, kcal/mol:	-42.21
Dipole, Da:	5.45
IP(EA), eV:	-8.62(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=NC3=C(S2)N=CC=C3)C(=O)NCCCN4CCOCC4

DOS

IR

Vibrations