Geometry & MOs

Info

ID:	152069
PubChem CID:	56310921
Reduced:	BrO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	393.185255
ΔH_f, kcal/mol:	-20.24
Dipole, Da:	4.34
IP(EA), eV:	-8.59(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[(6-fluoroquinolin-8-yl)methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=NN=C(O2)C3=CC(=CC=C3)Br)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations