Geometry & MOs

Info

ID:	71747
PubChem CID:	48415312
Reduced:	N2O2C19H26 (1)
Stoich.:	A2B2C19D26 (1)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-18.1
Dipole, Da:	3.64
IP(EA), eV:	-9.06(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(benzenesulfonyl)piperidin-3-yl]-(4-but-3-ynylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations