Geometry & MOs

Info

ID:	139624
PubChem CID:	52572190
Reduced:	N2O2C21H29 (1)
Stoich.:	A2B2C21D29 (1)
Weight, g/mol:	400.216221
ΔH_f, kcal/mol:	-48.79
Dipole, Da:	2.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.111829
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCCC(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C)C

DOS

IR

Vibrations