Geometry & MOs

Info

ID:	444721
PubChem CID:	135263374
Reduced:	FNSO4C15H20 (1)
Stoich.:	ABCD4E15F20 (1)
Weight, g/mol:	270.113506
ΔH_f, kcal/mol:	-203.76
Dipole, Da:	5.0
IP(EA), eV:	-8.26(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-piperazin-4-ium-1-ylphenyl)acetate;chloride

Drug info:

PubChemData

Smile

COC(=O)CC1=C(C=CC(=C1)N2CCC(CC2)S(=O)(=O)C)F

DOS

IR

Vibrations