Geometry & MOs

Info

ID:	304152
PubChem CID:	124497353
Reduced:	O2N4C21H34 (1)
Stoich.:	A2B4C21D34 (1)
Weight, g/mol:	436.283826
ΔH_f, kcal/mol:	-91.53
Dipole, Da:	4.08
IP(EA), eV:	-8.56(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-[(2S)-1-benzylpiperidin-2-yl]pyridin-2-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCCN1CCC[C@H]1C2=C(N=CC=C2)N3CCN(CC3)C(=O)OC(C)(C)C

DOS

IR

Vibrations