Geometry & MOs

Info

ID:	304559
PubChem CID:	124756285
Reduced:	ClO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	281.093104
ΔH_f, kcal/mol:	-59.96
Dipole, Da:	3.28
IP(EA), eV:	-9.76(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-(5-chloropyridine-3-carbonyl)-3-ethyl-1-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC[C@@H]1C(=O)N(CCN1C(=O)C2=CC(=CN=C2)Cl)C

DOS

IR

Vibrations