Geometry & MOs

Info

ID:	64144
PubChem CID:	29196579
Reduced:	BrN4O4H11C16 (1)
Stoich.:	AB4C4D11E16 (1)
Weight, g/mol:	408.226037
ΔH_f, kcal/mol:	70.91
Dipole, Da:	3.74
IP(EA), eV:	-9.74(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-1-oxobutan-2-yl]-3,4,5-trimethoxybenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=N\OCC2=NN=C(O2)C3=CC=C(C=C3)Br)[N+](=O)[O-]

DOS

IR

Vibrations