Geometry & MOs

Info

ID:	381417
PubChem CID:	134972142
Reduced:	N2O4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-161.7
Dipole, Da:	1.17
IP(EA), eV:	-8.89(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-methyl-3-phenylmethoxyhex-5-ene-1,2-diol

Drug info:

PubChemData

Smile

CCOC(=O)NN(C(=C)/C=C/C1=C(CCCC1(C)C)C)C(=O)OCC

DOS

IR

Vibrations