Geometry & MOs

Info

ID:	138625
PubChem CID:	52396030
Reduced:	ON4C24H28 (1)
Stoich.:	AB4C24D28 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	21.56
Dipole, Da:	6.25
IP(EA), eV:	-8.63(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-6-methyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CCCC[C@H](C1=CN=CC=C1)NC(=O)C2=C(C(=CC=C2)NCC3=CN=CC=C3)C

DOS

IR

Vibrations