Geometry & MOs

Info

ID:	390589
PubChem CID:	134999860
Reduced:	FSN3O5H22C24 (1)
Stoich.:	ABC3D5E22F24 (1)
Weight, g/mol:	250.172151
ΔH_f, kcal/mol:	-95.28
Dipole, Da:	3.9
IP(EA), eV:	-9.36(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylhex-3-enylbenzene

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)ON=C(C3=C(SC(=N3)N)F)C(=O)OCC=C

DOS

IR

Vibrations