Geometry & MOs

Info

ID:	444518
PubChem CID:	135262716
Reduced:	NO2H9C11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	272.17763
ΔH_f, kcal/mol:	-24.71
Dipole, Da:	4.35
IP(EA), eV:	-9.41(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4E)-4-benzylidene-2-methyldec-2-enoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=C2CCOC2=C(C=C1)C#N

DOS

IR

Vibrations