Geometry & MOs

Info

ID:	977
PubChem CID:	3609
Reduced:	NO3C11H16 (2)
Stoich.:	AB3C11D16 (2)
Weight, g/mol:	420.226037
ΔH_f, kcal/mol:	-238.5
Dipole, Da:	5.55
IP(EA), eV:	-8.78(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]benzene-1,2-diol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(CNCCCCCCNCC(C2=CC(=C(C=C2)O)O)O)O)O)O

DOS

IR

Vibrations