Geometry & MOs

Info

ID:	157045
PubChem CID:	56413052
Reduced:	SN4O5C23H36 (1)
Stoich.:	AB4C5D23E36 (1)
Weight, g/mol:	452.16746
ΔH_f, kcal/mol:	-217.07
Dipole, Da:	7.73
IP(EA), eV:	-9.01(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromophenoxy)-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)[C@H](C)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations