Geometry & MOs

Info

ID:	370619
PubChem CID:	127339769
Reduced:	OSN5C17H21 (1)
Stoich.:	ABC5D17E21 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	39.56
Dipole, Da:	2.91
IP(EA), eV:	-9.01(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)CC3=CN4C=CSC4=N3

DOS

IR

Vibrations