Geometry & MOs

Info

ID:	263543
PubChem CID:	103376751
Reduced:	NO2C8H19 (1)
Stoich.:	AB2C8D19 (1)
Weight, g/mol:	237.172879
ΔH_f, kcal/mol:	-118.19
Dipole, Da:	2.13
IP(EA), eV:	-9.38(1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-amino-1-(2,3-dimethylphenyl)ethoxy]butan-2-ol

Drug info:

PubChemData

Smile

CCCC(C)(CN)OCCO

DOS

IR

Vibrations