Geometry & MOs

Info

ID:	343901
PubChem CID:	127267077
Reduced:	FON3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	336.252526
ΔH_f, kcal/mol:	-40.85
Dipole, Da:	2.11
IP(EA), eV:	-8.14(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-1-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCC(CC2)NCC3=C(C(=CC=C3)F)N

DOS

IR

Vibrations