Geometry & MOs

Info

ID:	424332
PubChem CID:	135122267
Reduced:	Cl2O2N4C17H20 (1)
Stoich.:	A2B2C4D17E20 (1)
Weight, g/mol:	232.071114
ΔH_f, kcal/mol:	-81.92
Dipole, Da:	3.08
IP(EA), eV:	-8.96(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-1-(trifluoromethoxy)cyclobutan-1-ol

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)C2=CC3=C(C=C2)NC(=C3)C(=O)NCCN.Cl.Cl

DOS

IR

Vibrations