Geometry & MOs

Info

ID:	55193
PubChem CID:	17389875
Reduced:	NO8C13H19 (1)
Stoich.:	AB8C13D19 (1)
Weight, g/mol:	227.115758
ΔH_f, kcal/mol:	-296.15
Dipole, Da:	5.23
IP(EA), eV:	-8.97(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(2,3,4-trimethoxyphenyl)ethanol

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C(CO)N)OC)OC.C(=O)(C(=O)O)O

DOS

IR

Vibrations