Geometry & MOs

Info

ID:	406637
PubChem CID:	135078238
Reduced:	LiMnO4C13H23 (1)
Stoich.:	ABC4D13E23 (1)
Weight, g/mol:	381.0688
ΔH_f, kcal/mol:	-139.36
Dipole, Da:	5.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.752969
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-bromo-5-methoxyphenyl)methyl-ethylamino]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

[Li].CC(C)(C)O[C-]=O.CC(C)(C)O[C-]=O.[CH2-]C=C.[Mn+3]

DOS

IR

Vibrations