Geometry & MOs

Info

ID:	382573
PubChem CID:	134973820
Reduced:	O5C18H20 (1)
Stoich.:	A5B18C20 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-114.96
Dipole, Da:	11.74
IP(EA), eV:	-8.46(-3.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3E,5E)-2-hydroxy-2-methylocta-3,5-dienoate

Drug info:

PubChemData

Smile

CC1CC23C(C(C1OC2=CC(=O)O3)O)COCC4=CC=CC=C4

DOS

IR

Vibrations