Geometry & MOs

Info

ID:	18487
PubChem CID:	541691
Reduced:	N2O5C18H24 (1)
Stoich.:	A2B5C18D24 (1)
Weight, g/mol:	348.168522
ΔH_f, kcal/mol:	-173.04
Dipole, Da:	4.33
IP(EA), eV:	-8.62(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(3,4-dihydroxyphenyl)-2-(methylamino)ethyl]-5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol

Drug info:

PubChemData

Smile

CNCC(C1=CC(=C(C=C1)O)O)C2=CC(=C(C=C2C(CNC)O)O)O

DOS

IR

Vibrations