Geometry & MOs

Info

ID:	127344
PubChem CID:	50998992
Reduced:	ClNO2C10H14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	306.169191
ΔH_f, kcal/mol:	-109.32
Dipole, Da:	4.39
IP(EA), eV:	-9.75(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(4-carbamoylpyridin-2-yl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]([C@H](C1=CC=CC=C1)N)C(=O)O.Cl

DOS

IR

Vibrations