Geometry & MOs

Info

ID:	353205
PubChem CID:	127284385
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-100.67
Dipole, Da:	6.11
IP(EA), eV:	-9.09(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(C)C)C)CC(=O)N2CCN(CC2)C(=O)C3=CNC(=O)C=C3

DOS

IR

Vibrations