Geometry & MOs

Info

ID:	279556
PubChem CID:	103844317
Reduced:	BrN3O3C12H18 (1)
Stoich.:	AB3C3D12E18 (1)
Weight, g/mol:	237.184112
ΔH_f, kcal/mol:	-50.06
Dipole, Da:	9.83
IP(EA), eV:	-9.21(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=C(C=C(C=N1)[N+](=O)[O-])Br)CO

DOS

IR

Vibrations