Geometry & MOs

Info

ID:	45849
PubChem CID:	10518207
Reduced:	ON2C19H26 (1)
Stoich.:	AB2C19D26 (1)
Weight, g/mol:	298.262028
ΔH_f, kcal/mol:	-19.69
Dipole, Da:	1.74
IP(EA), eV:	-9.42(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1,4-bis(2-methylbutyl)piperazine-2-carboxylate

Drug info:

PubChemData

Smile

CCCC[C@@H]1[C@H]([C@@H]([C@H]2C[C@@H]([C@@H]1N2C)C#N)O)C3=CC=CC=C3

DOS

IR

Vibrations