Geometry & MOs

Info

ID:	270069
PubChem CID:	103625929
Reduced:	ClSN2O2C16H25 (1)
Stoich.:	ABC2D2E16F25 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	-107.31
Dipole, Da:	3.97
IP(EA), eV:	-9.11(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(1-pyrazol-1-ylpropan-2-ylamino)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=C(S1)Cl)NC2CCCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations