Geometry & MOs

Info

ID:	325696
PubChem CID:	126684544
Reduced:	ClFN2O2C23H30 (1)
Stoich.:	ABC2D2E23F30 (1)
Weight, g/mol:	278.179442
ΔH_f, kcal/mol:	-123.7
Dipole, Da:	2.08
IP(EA), eV:	-8.78(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-fluoro-5-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CCN(C)C)C[C@@H](CC1=CC=C(C=C1)C2=C(C=CC(=C2)Cl)F)N

DOS

IR

Vibrations