Geometry & MOs

Info

ID:	43230
PubChem CID:	10319992
Reduced:	NOBr2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	421.104954
ΔH_f, kcal/mol:	-47.53
Dipole, Da:	1.81
IP(EA), eV:	-9.08(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-amino-3-methylazetidin-1-yl)-1-(2,4-difluorophenyl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCNCCC1=CC(=C(C(=C1)Br)OC)Br

DOS

IR

Vibrations