Geometry & MOs

Info

ID:	396085
PubChem CID:	135027366
Reduced:	N3O5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	253.071448
ΔH_f, kcal/mol:	-107.63
Dipole, Da:	5.77
IP(EA), eV:	-9.1(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-4-(2,2,2-trifluoroethoxy)pyridine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@]1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)C[N+](=O)[O-]

DOS

IR

Vibrations