Geometry & MOs

Info

ID:	1742
PubChem CID:	4969
Reduced:	NO5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	331.141973
ΔH_f, kcal/mol:	-164.01
Dipole, Da:	2.69
IP(EA), eV:	-8.74(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-hydroxyethyl]benzene-1,2-diol

Drug info:

PubChemData

Smile

CC(CC1=CC2=C(C=C1)OCO2)NCC(C3=CC(=C(C=C3)O)O)O

DOS

IR

Vibrations