Geometry & MOs

Info

ID:	416068
PubChem CID:	135089076
Reduced:	ClO2N3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	337.082934
ΔH_f, kcal/mol:	-57.75
Dipole, Da:	5.3
IP(EA), eV:	-8.72(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6S)-5-(2-chlorophenyl)-6-(3-oxopiperazine-1-carbonyl)morpholin-3-one

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)Cl)CN3C[C@@H]4COC[C@H](C3)NC4=O

DOS

IR

Vibrations