Geometry & MOs

Info

ID:	49026
PubChem CID:	11528628
Reduced:	SN2O4C7H10 (1)
Stoich.:	AB2C4D7E10 (1)
Weight, g/mol:	218.115424
ΔH_f, kcal/mol:	-54.45
Dipole, Da:	1.44
IP(EA), eV:	-9.44(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3S,5R)-3-hydroxy-5-(methoxymethoxy)cyclohexyl] acetate

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CCOCO[N+](=O)[O-]

DOS

IR

Vibrations