Geometry & MOs

Info

ID:	446794
PubChem CID:	135277762
Reduced:	O2F3N5C28H32 (1)
Stoich.:	A2B3C5D28E32 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-143.31
Dipole, Da:	7.23
IP(EA), eV:	-7.96(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(6-methylpyridin-2-yl)oxolan-3-yl]acetate

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(N1C(C3CC3)O)C=CC(=C2OC4=C(C=CC=N4)C(F)(F)F)C5=CN(N=C5)C6CCNCC6

DOS

IR

Vibrations