Geometry & MOs

Info

ID:	141222
PubChem CID:	52841430
Reduced:	ClIN3O3H15C16 (1)
Stoich.:	ABC3D3E15F16 (1)
Weight, g/mol:	451.06622
ΔH_f, kcal/mol:	-61.68
Dipole, Da:	7.23
IP(EA), eV:	-9.57(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)NCCC(=O)NC2=CC=NC=C2)Cl)I

DOS

IR

Vibrations