Geometry & MOs

Info

ID:	130099
PubChem CID:	51074926
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	294.174356
ΔH_f, kcal/mol:	-25.44
Dipole, Da:	4.05
IP(EA), eV:	-8.74(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylpiperazin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)C2=C(C=CO2)C3=CC=CC=C3

DOS

IR

Vibrations