Geometry & MOs

Info

ID:	365846
PubChem CID:	127318786
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	378.06914
ΔH_f, kcal/mol:	41.59
Dipole, Da:	5.8
IP(EA), eV:	-9.11(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[3-oxo-3-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propyl]pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C=C1)C(=O)N3CCCCC3C4=CNN=C4

DOS

IR

Vibrations