Geometry & MOs

Info

ID:	161400
PubChem CID:	57391548
Reduced:	O7C17H24 (1)
Stoich.:	A7B17C24 (1)
Weight, g/mol:	519.22887
ΔH_f, kcal/mol:	-298.68
Dipole, Da:	2.56
IP(EA), eV:	-8.59(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[4-[3-(3-chlorophenoxy)propyl]phenyl]-N-methyl-6-oxo-N-(3-phenylpropyl)piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=CCC1=C(C=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)C

DOS

IR

Vibrations