Geometry & MOs

Info

ID:	129115
PubChem CID:	51070953
Reduced:	OSCl3N5H12C19 (1)
Stoich.:	ABC3D5E12F19 (1)
Weight, g/mol:	327.199843
ΔH_f, kcal/mol:	88.73
Dipole, Da:	3.91
IP(EA), eV:	-9.01(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-ethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperidine

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)NC2=CC(=NN2C3=C(C=CC(=C3)Cl)Cl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations