Geometry & MOs

Info

ID:	441363
PubChem CID:	135234342
Reduced:	N2Cl3O5H27C30 (1)
Stoich.:	A2B3C5D27E30 (1)
Weight, g/mol:	275.054496
ΔH_f, kcal/mol:	-88.74
Dipole, Da:	8.13
IP(EA), eV:	-8.63(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine

Drug info:

PubChemData

Smile

C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)COC4=CC(=C(C=C4)CCN(CCO)C5=CC=CC(=C5)C(=O)O)Cl

DOS

IR

Vibrations