Geometry & MOs

Info

ID:	411075
PubChem CID:	135083885
Reduced:	SO4C9H16 (1)
Stoich.:	AB4C9D16 (1)
Weight, g/mol:	196.109944
ΔH_f, kcal/mol:	-185.61
Dipole, Da:	5.19
IP(EA), eV:	-10.86(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-8-hydroxy-3-methylnon-2-en-4-ynoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\C(C)C)/S(=O)(=O)C

DOS

IR

Vibrations