Geometry & MOs

Info

ID:	427032
PubChem CID:	135155140
Reduced:	O4N7C24H31 (1)
Stoich.:	A4B7C24D31 (1)
Weight, g/mol:	225.016826
ΔH_f, kcal/mol:	-93.59
Dipole, Da:	2.72
IP(EA), eV:	-9.26(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1COC(=O)N1C2=NC(=NC=C2)NC(C)C3=CN=C(N=C3)OC4CCN(CC4)C(=O)C=C

DOS

IR

Vibrations