Geometry & MOs

Info

ID:	71302
PubChem CID:	48414592
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	349.236542
ΔH_f, kcal/mol:	38.18
Dipole, Da:	6.33
IP(EA), eV:	-9.06(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(4-but-3-ynylpiperazine-1-carbonyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCC2=NN=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations