Geometry & MOs

Info

ID:	378126
PubChem CID:	134224199
Reduced:	ClFO3C32H34 (1)
Stoich.:	ABC3D32E34 (1)
Weight, g/mol:	284.096793
ΔH_f, kcal/mol:	-105.3
Dipole, Da:	6.28
IP(EA), eV:	-9.38(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(CC1=CC=CC=C1C(=C)OC2=C(C=CC=C2Cl)C3CC3)C(C)C4=C(C=C(C=C4)C(=O)O)F

DOS

IR

Vibrations