Geometry & MOs

Info

ID:	156967
PubChem CID:	56394981
Reduced:	F2N3O3H13C21 (1)
Stoich.:	A2B3C3D13E21 (1)
Weight, g/mol:	422.15689
ΔH_f, kcal/mol:	-74.77
Dipole, Da:	3.61
IP(EA), eV:	-9.14(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)NNC(=O)C4=C(C(=CC=C4)F)F

DOS

IR

Vibrations