Geometry & MOs

Info

ID:	353252
PubChem CID:	127284432
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-85.58
Dipole, Da:	5.12
IP(EA), eV:	-9.17(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)C(=O)N2CCN(CC2)C(=O)C3=CNC(=O)C=C3)C

DOS

IR

Vibrations