Geometry & MOs

Info

ID:	257660
PubChem CID:	103147779
Reduced:	BrF2N2O2C11H17 (1)
Stoich.:	AB2C2D2E11F17 (1)
Weight, g/mol:	272.122401
ΔH_f, kcal/mol:	-167.59
Dipole, Da:	3.45
IP(EA), eV:	-9.61(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyclopropyloxyphenyl)-3-(2,2-difluoroethoxy)propan-1-ol

Drug info:

PubChemData

Smile

CCCN1C(=C(C=N1)Br)C(CCOCC(F)F)O

DOS

IR

Vibrations