Geometry & MOs

Info

ID:	343904
PubChem CID:	127267080
Reduced:	ON3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	322.236876
ΔH_f, kcal/mol:	24.66
Dipole, Da:	4.22
IP(EA), eV:	-8.85(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-1-methylpyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CNCC(C)(C)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations