Geometry & MOs

Info

ID:	312941
PubChem CID:	126610263
Reduced:	FC16H17 (2)
Stoich.:	AB16C17 (2)
Weight, g/mol:	402.175043
ΔH_f, kcal/mol:	-29.22
Dipole, Da:	1.79
IP(EA), eV:	-8.92(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-enylphenyl)-4-[(4-but-3-enylphenyl)methoxy]-2-chlorobenzene

Drug info:

PubChemData

Smile

C/C=C/CCC1=CC(=C(C=C1)C/C=C/CC2=CC(=C(C=C2)C3=CC=C(C=C3)CCCC=C)F)F

DOS

IR

Vibrations