Geometry & MOs

Info

ID:	426082
PubChem CID:	135136412
Reduced:	SO3N5C28H35 (1)
Stoich.:	AB3C5D28E35 (1)
Weight, g/mol:	343.299891
ΔH_f, kcal/mol:	-33.52
Dipole, Da:	5.23
IP(EA), eV:	-8.94(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N,N-dimethyl-1-[4-[(2S,6R)-6-methyl-4-propan-2-ylmorpholin-2-yl]butan-2-yl]piperidin-4-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CN=C(C=C1)CNC(=O)N2CC(C(C2)C3=CC(=NN3C(C)C)C4CC4)C5=CC=CC=C5

DOS

IR

Vibrations