Geometry & MOs

Info

ID:	353225
PubChem CID:	127284405
Reduced:	O3N5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-55.66
Dipole, Da:	6.75
IP(EA), eV:	-9.22(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)NN=C2C(=O)N3CCN(CC3)C(=O)C4=CNC(=O)C=C4

DOS

IR

Vibrations