Geometry & MOs

Info

ID:	366519
PubChem CID:	127320035
Reduced:	O2N5C20H33 (1)
Stoich.:	A2B5C20D33 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-85.29
Dipole, Da:	5.49
IP(EA), eV:	-9.1(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-pyridin-3-yl-4-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=NC=CN1CCC(=O)N2CCN(CC2)CC(=O)N3CCCCC3

DOS

IR

Vibrations