Geometry & MOs

Info

ID:	442934
PubChem CID:	135256959
Reduced:	NSO10C19H23 (1)
Stoich.:	ABC10D19E23 (1)
Weight, g/mol:	229.167794
ΔH_f, kcal/mol:	-374.3
Dipole, Da:	4.89
IP(EA), eV:	-8.61(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-aminooxy-5-cycloheptyloxolan-2-yl)methanol

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)ON2C=CC=CC2=S)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations