Geometry & MOs

Info

ID:	776
PubChem CID:	3343
Reduced:	NO4C17H21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	-147.84
Dipole, Da:	2.12
IP(EA), eV:	-8.8(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O

DOS

IR

Vibrations