Geometry & MOs

Info

ID:	157050
PubChem CID:	56413057
Reduced:	N3O3C28H41 (1)
Stoich.:	A3B3C28D41 (1)
Weight, g/mol:	433.27407
ΔH_f, kcal/mol:	-144.29
Dipole, Da:	4.82
IP(EA), eV:	-8.52(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)C3CCCCC3C(=O)N4CCC5=CC=CC=C54

DOS

IR

Vibrations