Geometry & MOs

Info

ID:	132343
PubChem CID:	51346151
Reduced:	NO2C8H13 (1)
Stoich.:	AB2C8D13 (1)
Weight, g/mol:	199.061136
ΔH_f, kcal/mol:	-93.58
Dipole, Da:	2.93
IP(EA), eV:	-9.43(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R,5R,6R)-azepane-3,4,5,6-tetrol;hydrochloride

Drug info:

PubChemData

Smile

CN1[C@@H]2CC([C@H]1CC(=O)C2)O

DOS

IR

Vibrations