Geometry & MOs

Info

ID:	388142
PubChem CID:	134988314
Reduced:	NSI2H5C9 (1)
Stoich.:	ABC2D5E9 (1)
Weight, g/mol:	216.099774
ΔH_f, kcal/mol:	110.84
Dipole, Da:	2.36
IP(EA), eV:	-9.5(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5Z)-6-(2-methoxyethoxymethoxy)hexa-3,5-dienoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C(I)I)SC#N

DOS

IR

Vibrations