Geometry & MOs

Info

ID:	342980
PubChem CID:	127266143
Reduced:	O2F3N5H12C13 (1)
Stoich.:	A2B3C5D12E13 (1)
Weight, g/mol:	310.189257
ΔH_f, kcal/mol:	-140.69
Dipole, Da:	6.84
IP(EA), eV:	-9.08(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-(4-morpholin-4-ylbut-2-enoyl)piperidin-4-yl]acetate

Drug info:

PubChemData

Smile

CN1N=C(N=N1)C(=O)N2CCCC3=C2C=CC(=C3)OC(F)(F)F

DOS

IR

Vibrations