Geometry & MOs

Info

ID:	50069
PubChem CID:	12011645
Reduced:	N2O3C11H16 (1)
Stoich.:	A2B3C11D16 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	-106.54
Dipole, Da:	5.61
IP(EA), eV:	-7.86(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-amino-2-(1-hydroxyethyl)phenyl]pyrrolidine-3,4-diol

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)N)N2CC(C(C2)O)O

DOS

IR

Vibrations