Geometry & MOs

Info

ID:	384349
PubChem CID:	134976835
Reduced:	OH11C13 (2)
Stoich.:	AB11C13 (2)
Weight, g/mol:	292.14633
ΔH_f, kcal/mol:	101.85
Dipole, Da:	2.31
IP(EA), eV:	-8.19(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[3-methyl-4-[(E)-2-phenylethenyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C2C(=C(C=C1)OC)C2=C(/C=C/C=C/C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations