Geometry & MOs

Info

ID:	360889
PubChem CID:	127301586
Reduced:	ON4C23H32 (1)
Stoich.:	AB4C23D32 (1)
Weight, g/mol:	360.190989
ΔH_f, kcal/mol:	-12.61
Dipole, Da:	2.65
IP(EA), eV:	-9.39(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[2-oxo-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1C2CCCN(C2)C(=O)C3=CC=C(C=C3)C4CCCCC4

DOS

IR

Vibrations