Geometry & MOs

Info

ID:	347491
PubChem CID:	127272346
Reduced:	N2O2C10H13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	341.148789
ΔH_f, kcal/mol:	-139.5
Dipole, Da:	6.9
IP(EA), eV:	-9.32(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CC2)C(=O)N3CCN(CC3)C(=O)C4=CNC(=O)C=C4

DOS

IR

Vibrations