Geometry & MOs

Info

ID:	387682
PubChem CID:	134986428
Reduced:	OCl2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	272.158786
ΔH_f, kcal/mol:	-49.98
Dipole, Da:	4.02
IP(EA), eV:	-10.12(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-butoxyphenyl)-1,1-difluoropentan-3-ol

Drug info:

PubChemData

Smile

C=CCC1CCCCC12CC(=O)C2(Cl)Cl

DOS

IR

Vibrations