Geometry & MOs

Info

ID:	270645
PubChem CID:	103637443
Reduced:	SO2N3C16H27 (1)
Stoich.:	AB2C3D16E27 (1)
Weight, g/mol:	322.236876
ΔH_f, kcal/mol:	-100.12
Dipole, Da:	1.66
IP(EA), eV:	-9.16(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CNCC2CCN(CC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations