Geometry & MOs

Info

ID:	188547
PubChem CID:	77731506
Reduced:	NO3C13H17 (2)
Stoich.:	AB3C13D17 (2)
Weight, g/mol:	507.298473
ΔH_f, kcal/mol:	-233.36
Dipole, Da:	6.63
IP(EA), eV:	-9.1(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-hydroxy-2-[6-[4-[3-(2-hydroxyphenyl)phenyl]butoxy]hexylamino]ethyl]-2-(hydroxymethyl)phenol

Drug info:

PubChemData

Smile

COC(CCCC(C(=O)O)N)(N(C(=O)CCC1=CC=CC=C1)C(=O)CCC2=CC=CC=C2)OC

DOS

IR

Vibrations