Geometry & MOs

Info

ID:	330255
PubChem CID:	127247242
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	287.138225
ΔH_f, kcal/mol:	9.92
Dipole, Da:	5.92
IP(EA), eV:	-9.13(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CSC(=C1)C(=O)N2CCCCC2C3=CC=NN3

DOS

IR

Vibrations