Geometry & MOs

Info

ID:	353240
PubChem CID:	127284420
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	-111.22
Dipole, Da:	5.52
IP(EA), eV:	-8.98(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CCCN1CCCC1C(=O)N2CCN(CC2)C(=O)C3=CNC(=O)C=C3

DOS

IR

Vibrations