Geometry & MOs

Info

ID:	312956
PubChem CID:	126610388
Reduced:	FOC29H31 (1)
Stoich.:	ABC29D31 (1)
Weight, g/mol:	400.220244
ΔH_f, kcal/mol:	-25.83
Dipole, Da:	2.36
IP(EA), eV:	-8.61(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-but-3-enylphenyl)methoxy]-2-fluoro-1-[4-[(E)-pent-3-enyl]phenyl]benzene

Drug info:

PubChemData

Smile

C/C=C/CCC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C=C(C=C3)CC/C=C/C)F

DOS

IR

Vibrations