Geometry & MOs

Info

ID:	203875
PubChem CID:	79886828
Reduced:	ClNF2O2H12C14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	271.138385
ΔH_f, kcal/mol:	-132.51
Dipole, Da:	2.98
IP(EA), eV:	-8.78(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(aminomethyl)-2,6-difluorophenoxy]methyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NCC2=CC(=C(C(=C2)F)O)F

DOS

IR

Vibrations