Geometry & MOs

Info

ID:	353228
PubChem CID:	127284408
Reduced:	ClO3N5C17H20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	-81.7
Dipole, Da:	2.02
IP(EA), eV:	-9.2(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations