Geometry & MOs

Info

ID:	330319
PubChem CID:	127247306
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	5.61
Dipole, Da:	4.48
IP(EA), eV:	-9.58(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)CCC3=CN=CC=C3

DOS

IR

Vibrations