Geometry & MOs

Info

ID:	355462
PubChem CID:	127288525
Reduced:	OSN6C16H24 (1)
Stoich.:	ABC6D16E24 (1)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	22.81
Dipole, Da:	4.72
IP(EA), eV:	-8.7(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)CSC3=NN=CN3C(C)C

DOS

IR

Vibrations