Geometry & MOs

Info

ID:	373001
PubChem CID:	131308466
Reduced:	NSO3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	-83.15
Dipole, Da:	6.28
IP(EA), eV:	-8.97(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-3-amino-3-(hydroxymethyl)-1,2-dihydroinden-5-yl]ethanol

Drug info:

PubChemData

Smile

CC(C1=NC2=C(C=CC=C2S1)OC)C(=O)O

DOS

IR

Vibrations