Geometry & MOs

Info

ID:	405542
PubChem CID:	135074340
Reduced:	O2C23H26 (1)
Stoich.:	A2B23C26 (1)
Weight, g/mol:	222.104465
ΔH_f, kcal/mol:	-46.78
Dipole, Da:	5.41
IP(EA), eV:	-8.64(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1E)-4-(2-ethenylphenyl)buta-1,3-dienyl]furan

Drug info:

PubChemData

Smile

C[C@]1(CC[C@@H](C(=O)O1)CCC=C)C/C=C/C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations