Geometry & MOs

Info

ID:	150639
PubChem CID:	53790332
Reduced:	F3C23H29 (1)
Stoich.:	A3B23C29 (1)
Weight, g/mol:	529.20467
ΔH_f, kcal/mol:	-120.08
Dipole, Da:	4.95
IP(EA), eV:	-9.58(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(dimethylamino)-4-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]naphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2CCC(CC2)C#CC3=CC(=C(C(=C3)F)F)F

DOS

IR

Vibrations