Geometry & MOs

Info

ID:	83461
PubChem CID:	49857618
Reduced:	N3O3C23H35 (1)
Stoich.:	A3B3C23D35 (1)
Weight, g/mol:	376.218449
ΔH_f, kcal/mol:	-116.99
Dipole, Da:	7.3
IP(EA), eV:	-8.79(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-thiomorpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=C(C=C1)OCCCN2CCCCC2)N3CCN(CC3)C(=O)C

DOS

IR

Vibrations