Geometry & MOs

Info

ID:	353230
PubChem CID:	127284410
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	-81.12
Dipole, Da:	4.71
IP(EA), eV:	-9.48(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1-tert-butylpyrazole-4-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CC(=O)N2CCN(CC2)C(=O)C3=CNC(=O)C=C3

DOS

IR

Vibrations