Geometry & MOs

Info

ID:	304558
PubChem CID:	124756284
Reduced:	ON6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	281.093104
ΔH_f, kcal/mol:	60.24
Dipole, Da:	5.68
IP(EA), eV:	-8.99(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NN1)[C@H]2CCCN(C2)CC3=NN=C(O3)C4CC4

DOS

IR

Vibrations