Geometry & MOs

Info

ID:	157046
PubChem CID:	56413053
Reduced:	BrN2O3C22H33 (1)
Stoich.:	AB2C3D22E33 (1)
Weight, g/mol:	449.24452
ΔH_f, kcal/mol:	-131.83
Dipole, Da:	6.07
IP(EA), eV:	-9.05(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)CCCOC3=CC(=CC=C3)Br

DOS

IR

Vibrations