Geometry & MOs

Info

ID:	312943
PubChem CID:	126610276
Reduced:	FCl2O2H23C27 (1)
Stoich.:	AB2C2D23E27 (1)
Weight, g/mol:	388.220244
ΔH_f, kcal/mol:	-58.31
Dipole, Da:	2.29
IP(EA), eV:	-9.13(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(4-but-3-enylphenyl)methoxy]phenyl]-1-butyl-2-fluorobenzene

Drug info:

PubChemData

Smile

C=CCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCC=C)Cl)F)Cl

DOS

IR

Vibrations