Geometry & MOs

Info

ID:	248047
PubChem CID:	103078509
Reduced:	ON4C9H16 (1)
Stoich.:	AB4C9D16 (1)
Weight, g/mol:	223.14331
ΔH_f, kcal/mol:	-5.21
Dipole, Da:	3.66
IP(EA), eV:	-7.94(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-amino-1-methylpyrazol-3-yl)-3,3-dimethylpiperazin-2-one

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2CCCOC2)N

DOS

IR

Vibrations