Geometry & MOs

Info

ID:	257640
PubChem CID:	103147554
Reduced:	O2F3N3C11H18 (1)
Stoich.:	A2B3C3D11E18 (1)
Weight, g/mol:	373.99906
ΔH_f, kcal/mol:	-227.93
Dipole, Da:	5.87
IP(EA), eV:	-10.05(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-iodophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol

Drug info:

PubChemData

Smile

CCCN1C(=NC=N1)CC(CCOCC(F)(F)F)O

DOS

IR

Vibrations