Geometry & MOs

Info

ID:	395624
PubChem CID:	135026042
Reduced:	O5H28C32 (1)
Stoich.:	A5B28C32 (1)
Weight, g/mol:	178.135765
ΔH_f, kcal/mol:	-25.15
Dipole, Da:	4.23
IP(EA), eV:	-8.48(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z,8E,10E)-dodeca-6,8,10-trienal

Drug info:

PubChemData

Smile

CC(C)(C#C)OC1=CC2=C(C(=C1)OC(C)(C)C#C)C(=O)C(=C(O2)C3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations