Geometry & MOs

Info

ID:	370650
PubChem CID:	127339809
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	18.67
Dipole, Da:	2.61
IP(EA), eV:	-9.17(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1-ethylpyrazol-4-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)CN3C=C(C=N3)C

DOS

IR

Vibrations