Geometry & MOs

Info

ID:	390846
PubChem CID:	135001235
Reduced:	NSeO3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-92.94
Dipole, Da:	4.26
IP(EA), eV:	-9.09(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,4S)-5,5-dimethyl-6-phenylmethoxyhex-2-ene-1,4-diol

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C2[C@H]3CCCN3C(CC2=C1)C(=O)[Se]C)C(=O)C

DOS

IR

Vibrations