Geometry & MOs

Info

ID:	411635
PubChem CID:	135084467
Reduced:	O5C11H18 (1)
Stoich.:	A5B11C18 (1)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-175.14
Dipole, Da:	2.58
IP(EA), eV:	-10.2(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7,7-dimethyloct-5-enoic acid

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](O1)C[C@@H]2[C@H](O2)C[C@H]3[C@@H](COCO3)O

DOS

IR

Vibrations