Geometry & MOs

Info

ID:	338264
PubChem CID:	127258956
Reduced:	Cl2O2N3C10H19 (1)
Stoich.:	A2B2C3D10E19 (1)
Weight, g/mol:	300.137134
ΔH_f, kcal/mol:	-148.13
Dipole, Da:	3.15
IP(EA), eV:	-9.74(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-3-propan-2-ylpiperazine-1-carboxylate;dihydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCNC(C1)C#N.Cl.Cl

DOS

IR

Vibrations