Geometry & MOs

Info

ID:	156439
PubChem CID:	56370607
Reduced:	SO3N4C27H36 (1)
Stoich.:	AB3C4D27E36 (1)
Weight, g/mol:	396.14124
ΔH_f, kcal/mol:	-70.09
Dipole, Da:	6.78
IP(EA), eV:	-8.34(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CCCN(CC1)CCCC2=CC=CC=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations