Geometry & MOs

Info

ID:	396833
PubChem CID:	135029291
Reduced:	O3C36H40 (1)
Stoich.:	A3B36C40 (1)
Weight, g/mol:	253.092578
ΔH_f, kcal/mol:	-86.6
Dipole, Da:	3.22
IP(EA), eV:	-8.32(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(2,2,2-trifluoroethoxy)-3,6-dihydro-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CCCC1=CC(=C(C2=C1C3=C(C(=CC4=C(C=C(C2=C43)CC)C(C)(C)C)C5=CC=C(C=C5)OC)C)C)C(=O)OC

DOS

IR

Vibrations