Geometry & MOs

Info

ID:	306385
PubChem CID:	125011511
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-55.72
Dipole, Da:	7.33
IP(EA), eV:	-9.41(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)N2CCOC[C@H](C2)CC3=NC=CC(=C3)C(=O)N

DOS

IR

Vibrations