Geometry & MOs

Info

ID:	378215
PubChem CID:	134224291
Reduced:	ClF2O3C31H31 (1)
Stoich.:	AB2C3D31E31 (1)
Weight, g/mol:	302.087371
ΔH_f, kcal/mol:	-144.42
Dipole, Da:	4.93
IP(EA), eV:	-9.46(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-cyclopropyl-2-[1-(3-fluoro-2-methylphenyl)ethenoxy]benzene

Drug info:

PubChemData

Smile

CCC(C)(CC1=C(C=CC=C1F)C(=C)OC2=C(C=CC=C2Cl)C3CC3)C(C)C4=C(C=C(C=C4)C(=O)O)F

DOS

IR

Vibrations