Geometry & MOs

Info

ID:	317213
PubChem CID:	126633352
Reduced:	NOC21H23 (1)
Stoich.:	ABC21D23 (1)
Weight, g/mol:	280.14633
ΔH_f, kcal/mol:	22.83
Dipole, Da:	4.89
IP(EA), eV:	-8.76(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-but-3-enoyl-4-penta-1,4-dien-2-ylphenyl)but-3-en-1-one

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)/C=C/C(=C)NC2=CC=CC=C2C=O)CC

DOS

IR

Vibrations