Geometry & MOs

Info

ID:	376738
PubChem CID:	134222764
Reduced:	ClO2F6H21C22 (1)
Stoich.:	AB2C6D21E22 (1)
Weight, g/mol:	398.130521
ΔH_f, kcal/mol:	-367.24
Dipole, Da:	8.52
IP(EA), eV:	-9.44(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[difluoro-[4-[4-(methoxymethyl)cyclohexen-1-yl]phenyl]methoxy]-1,2,3-trifluorobenzene

Drug info:

PubChemData

Smile

CCOCC1CCC(CC1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3)F)Cl)F)(F)F)F

DOS

IR

Vibrations