Geometry & MOs

Info

ID:	151849
PubChem CID:	56310667
Reduced:	SN3O5C22H29 (1)
Stoich.:	AB3C5D22E29 (1)
Weight, g/mol:	393.185255
ΔH_f, kcal/mol:	-146.84
Dipole, Da:	7.11
IP(EA), eV:	-8.6(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[(5-fluoroquinolin-8-yl)methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=CC=C(O2)S(=O)(=O)N3CCCC3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations