Geometry & MOs

Info

ID:	139625
PubChem CID:	52572238
Reduced:	FN2O3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	400.216221
ΔH_f, kcal/mol:	-145.42
Dipole, Da:	2.7
IP(EA), eV:	-8.71(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dimethylphenoxy)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCCC(=O)NC[C@@H](C2=CC=C(C=C2)F)N3CCOCC3)C

DOS

IR

Vibrations