Geometry & MOs

Info

ID:	311999
PubChem CID:	126600715
Reduced:	O2F3N5C20H22 (1)
Stoich.:	A2B3C5D20E22 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-171.32
Dipole, Da:	4.23
IP(EA), eV:	-8.9(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-ethenylpyridine-4-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=NC3=C(CCOCC3)C(=C2)C(=O)NC4=NN=CC=C4)C(F)(F)F

DOS

IR

Vibrations