Geometry & MOs

Info

ID:	330358
PubChem CID:	127247345
Reduced:	ON5C18H27 (1)
Stoich.:	AB5C18D27 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	-8.15
Dipole, Da:	6.01
IP(EA), eV:	-9.08(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-6-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCN1C(=C(C(=N1)C)C(=O)N2CCCCC2C3=C(C=NN3)C)C

DOS

IR

Vibrations