Geometry & MOs

Info

ID:	248101
PubChem CID:	103078945
Reduced:	ON4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	223.179696
ΔH_f, kcal/mol:	-10.89
Dipole, Da:	5.13
IP(EA), eV:	-7.91(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(1,3-dimethylpiperidin-4-yl)-1-methylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2CCCCCC2CO)N

DOS

IR

Vibrations