Geometry & MOs

Info

ID:	180496
PubChem CID:	76643336
Reduced:	CuO3C10H18 (1)
Stoich.:	AB3C10D18 (1)
Weight, g/mol:	179.131014
ΔH_f, kcal/mol:	-110.75
Dipole, Da:	3.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770963
Charge, e:	0

Chem-info

IUPAC name:

3-(ethylamino)-2,4,6-trimethylphenol

Drug info:

PubChemData

Smile

CCC(=O)C=C(C(C)OC(C)C)O.[Cu]

DOS

IR

Vibrations