Geometry & MOs

Info

ID:	427012
PubChem CID:	135155018
Reduced:	O3N4H26C29 (1)
Stoich.:	A3B4C26D29 (1)
Weight, g/mol:	225.016826
ΔH_f, kcal/mol:	15.43
Dipole, Da:	5.16
IP(EA), eV:	-8.76(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-6-(trifluoromethyl)pyridin-2-yl]ethanol

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC(=C1)CN2C(=O)C(N=C2N)(C3=CC=CC=C3)C4=CC=CC(=C4)C5=CC=CO5

DOS

IR

Vibrations