Geometry & MOs

Info

ID:	270646
PubChem CID:	103637453
Reduced:	O2N4C17H30 (1)
Stoich.:	A2B4C17D30 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	-99.92
Dipole, Da:	4.67
IP(EA), eV:	-8.93(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CNCC2CCCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations