Geometry & MOs

Info

ID:	364383
PubChem CID:	127315560
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-115.62
Dipole, Da:	4.6
IP(EA), eV:	-8.53(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-methylpiperazine-1-carbonyl)pyrrolidine-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2CCCN2C(=O)CCC(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations