Geometry & MOs

Info

ID:	39672
PubChem CID:	8141830
Reduced:	F2N3O3C20H22 (1)
Stoich.:	A2B3C3D20E22 (1)
Weight, g/mol:	399.19582
ΔH_f, kcal/mol:	-150.28
Dipole, Da:	7.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755695
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)COC3=CC(=CC=C3)F

DOS

IR

Vibrations