Geometry & MOs

Info

ID:	3661
PubChem CID:	9954
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	-41.66
Dipole, Da:	4.81
IP(EA), eV:	-8.65(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(2-aminopyridin-4-yl)amino]ethyl]benzene-1,2-diol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCNC2=CC(=NC=C2)N)O)O

DOS

IR

Vibrations