Geometry & MOs

Info

ID:	427067
PubChem CID:	135155295
Reduced:	O4N7C24H31 (1)
Stoich.:	A4B7C24D31 (1)
Weight, g/mol:	225.016826
ΔH_f, kcal/mol:	-89.99
Dipole, Da:	5.03
IP(EA), eV:	-9.29(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-5-(trifluoromethyl)pyridin-3-yl]ethanol

Drug info:

PubChemData

Smile

CC(C)[C@H]1COC(=O)N1C2=NC(=NC=C2)NCCC3=CN=C(N=C3)OC4CCN(CC4)C(=O)C=C

DOS

IR

Vibrations