Geometry & MOs

Info

ID:	128341
PubChem CID:	51040538
Reduced:	OC11H12 (2)
Stoich.:	AB11C12 (2)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-13.96
Dipole, Da:	2.43
IP(EA), eV:	-9.32(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E,4E)-5-[4-(dimethylamino)phenyl]-3-methylpenta-2,4-dienoate

Drug info:

PubChemData

Smile

C=C1C[C@@H](OCC(=C)C[C@H](OC1)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations