Geometry & MOs

Info

ID:	279892
PubChem CID:	103845558
Reduced:	OSN2C15H28 (1)
Stoich.:	ABC2D15E28 (1)
Weight, g/mol:	281.199094
ΔH_f, kcal/mol:	-60.62
Dipole, Da:	2.72
IP(EA), eV:	-9.04(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=CSC(=N1)C(C)(C)C)CO

DOS

IR

Vibrations