Geometry & MOs

Info

ID:	341537
PubChem CID:	127264230
Reduced:	ClO2N3C8H12 (1)
Stoich.:	AB2C3D8E12 (1)
Weight, g/mol:	264.160456
ΔH_f, kcal/mol:	-76.77
Dipole, Da:	6.73
IP(EA), eV:	-10.18(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C1=NN2CCNCC2=C1.Cl

DOS

IR

Vibrations