Geometry & MOs

Info

ID:	241043
PubChem CID:	93621338
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	345.14887
ΔH_f, kcal/mol:	-28.06
Dipole, Da:	2.63
IP(EA), eV:	-8.7(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-fluorophenyl)-N-[(2-methoxypyridin-3-yl)methyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2CCCN2C(=O)NCCCN3C=CC=N3

DOS

IR

Vibrations