Geometry & MOs

Info

ID:	270649
PubChem CID:	103637457
Reduced:	SO2N3C16H27 (1)
Stoich.:	AB2C3D16E27 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	-98.13
Dipole, Da:	0.54
IP(EA), eV:	-9.14(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CNCC2CCCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations