Geometry & MOs

Info

ID:	59342
PubChem CID:	24818949
Reduced:	ON6C26H30 (1)
Stoich.:	AB6C26D30 (1)
Weight, g/mol:	415.192963
ΔH_f, kcal/mol:	49.74
Dipole, Da:	4.63
IP(EA), eV:	-8.54(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(benzenesulfonyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations