Geometry & MOs

Info

ID:	376730
PubChem CID:	134222755
Reduced:	O2F9H21C23 (1)
Stoich.:	A2B9C21D23 (1)
Weight, g/mol:	400.146171
ΔH_f, kcal/mol:	-521.19
Dipole, Da:	10.39
IP(EA), eV:	-9.91(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[difluoro-[4-[4-(methoxymethyl)cyclohexyl]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)C(F)(F)F)F)(F)F)F

DOS

IR

Vibrations