Geometry & MOs

Info

ID:	319220
PubChem CID:	126655349
Reduced:	F2O2N3H13C14 (2)
Stoich.:	A2B2C3D13E14 (2)
Weight, g/mol:	355.141973
ΔH_f, kcal/mol:	-259.39
Dipole, Da:	4.95
IP(EA), eV:	-9.01(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[(4-methoxyphenyl)methyl]-5-oxomorpholine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=C(C1=O)C(=CC(=N2)C3=C(C=CC=C3F)C#N)N4C=CC(=N4)N5CCC[C@@](C5)(C(F)(F)F)O

DOS

IR

Vibrations