Geometry & MOs

Info

ID:	128902
PubChem CID:	51062991
Reduced:	N2O13C19H36 (1)
Stoich.:	A2B13C19D36 (1)
Weight, g/mol:	240.172545
ΔH_f, kcal/mol:	-616.69
Dipole, Da:	5.77
IP(EA), eV:	-9.85(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

C(CC(=O)O)C(=O)N[C@H]1[C@@H](O[C@@H](C([C@@H]1O)CO)CO)CO.C([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)N)O

DOS

IR

Vibrations