Geometry & MOs

Info

ID:	317293
PubChem CID:	126635414
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	505.340338
ΔH_f, kcal/mol:	-82.42
Dipole, Da:	4.23
IP(EA), eV:	-9.23(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-butyl-10-(cyclobutylmethyl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-3,13-diol

Drug info:

PubChemData

Smile

CN(CCO)CC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2

DOS

IR

Vibrations