Geometry & MOs

Info

ID:	416246
PubChem CID:	135089258
Reduced:	SO2N4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-31.32
Dipole, Da:	4.09
IP(EA), eV:	-8.79(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[2-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CC(OC1)CNC2=NC=C(C=N2)CN3CCC4(CC3)C5=C(CCO4)SC=C5

DOS

IR

Vibrations