Geometry & MOs

Info

ID:	147935
PubChem CID:	53787595
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-89.54
Dipole, Da:	4.03
IP(EA), eV:	-8.77(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7,11-trimethyl-4-oxododeca-2,5,11-trienoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCNC(=O)CO)OCC#C

DOS

IR

Vibrations