Geometry & MOs

Info

ID:	382881
PubChem CID:	134974289
Reduced:	O3C17H24 (1)
Stoich.:	A3B17C24 (1)
Weight, g/mol:	349.204179
ΔH_f, kcal/mol:	-95.76
Dipole, Da:	3.75
IP(EA), eV:	-9.45(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2[C@@H]3C[C@@H]([C@H]2[C@H]([C@H]([C@H](C1=O)C)O)O)[C@@H]4[C@H]3C=CC4

DOS

IR

Vibrations