Geometry & MOs

Info

ID:	154970
PubChem CID:	56314529
Reduced:	FO3N5C22H32 (1)
Stoich.:	AB3C5D22E32 (1)
Weight, g/mol:	423.234434
ΔH_f, kcal/mol:	-167.42
Dipole, Da:	4.28
IP(EA), eV:	-8.35(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)F)C(C)NC(=O)CCCN3C(=O)CN(C3=O)C

DOS

IR

Vibrations