Geometry & MOs

Info

ID:	341534
PubChem CID:	127264227
Reduced:	ClO2N3C7H10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	264.160456
ΔH_f, kcal/mol:	-69.54
Dipole, Da:	8.58
IP(EA), eV:	-9.97(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2C(=CC(=N2)C(=O)O)CN1.Cl

DOS

IR

Vibrations