Geometry & MOs

Info

ID:	188375
PubChem CID:	77706381
Reduced:	SN6O6C31H48 (1)
Stoich.:	AB6C6D31E48 (1)
Weight, g/mol:	424.252606
ΔH_f, kcal/mol:	-235.6
Dipole, Da:	1.4
IP(EA), eV:	-9.28(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(4-fluorophenyl)methyl]piperidin-1-yl]-[3-(1-phenylethylamino)oxan-4-yl]methanone

Drug info:

PubChemData

Smile

CCCCCC(CC)CC1=NC(=C2N1NC(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC)OCCC)C

DOS

IR

Vibrations