Geometry & MOs

Info

ID:	353251
PubChem CID:	127284431
Reduced:	NOC5H7 (4)
Stoich.:	ABC5D7 (4)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	-176.44
Dipole, Da:	6.56
IP(EA), eV:	-9.23(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NCCC(=O)N2CCN(CC2)C(=O)C3=CNC(=O)C=C3

DOS

IR

Vibrations