Geometry & MOs

Info

ID:	380141
PubChem CID:	134965134
Reduced:	BO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	219.087098
ΔH_f, kcal/mol:	-134.24
Dipole, Da:	2.36
IP(EA), eV:	-9.07(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2-(4,4,4-trifluorobutyl)pyridine

Drug info:

PubChemData

Smile

B1(OCCO1)C(C)C2=CC=CC=C2

DOS

IR

Vibrations