Geometry & MOs

Info

ID:	156351
PubChem CID:	56370232
Reduced:	ClSO3N4H13C15 (1)
Stoich.:	ABC3D4E13F15 (1)
Weight, g/mol:	426.15181
ΔH_f, kcal/mol:	-14.66
Dipole, Da:	7.47
IP(EA), eV:	-9.52(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[1-[(2-bromo-3,4-dimethoxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine

Drug info:

PubChemData

Smile

CN(CC1=CC=C(S1)Cl)C(=O)COC(=O)C2=CN3C=NN=C3C=C2

DOS

IR

Vibrations