Geometry & MOs

Info

ID:	170254
PubChem CID:	75213106
Reduced:	O5C15H24 (2)
Stoich.:	A5B15C24 (2)
Weight, g/mol:	211.061136
ΔH_f, kcal/mol:	-507.9
Dipole, Da:	4.61
IP(EA), eV:	-10.19(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol;hydrochloride

Drug info:

PubChemData

Smile

CC(CCC(=O)OC1C(C(C(C(O1)C(=O)O)O)O)O)C2CCC3C2(CCC4C3C(CC5C4(CCC(C5)O)C)O)C

DOS

IR

Vibrations