Geometry & MOs

Info

ID:	141667
PubChem CID:	52911385
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	439.329774
ΔH_f, kcal/mol:	-96.13
Dipole, Da:	1.64
IP(EA), eV:	-8.04(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;dodecanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C=CC(=C2)O)CCNC(=O)COC

DOS

IR

Vibrations