Geometry & MOs

Info

ID:	45474
PubChem CID:	10513970
Reduced:	OH6C8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	52.69
Dipole, Da:	1.1
IP(EA), eV:	-9.98(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-methylidene-5-phenylmethoxypentane-1,3-diol

Drug info:

PubChemData

Smile

C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)C4=C(C3=O)C=C5CC5=C4

DOS

IR

Vibrations