Geometry & MOs

Info

ID:	192768
PubChem CID:	78310189
Reduced:	N2O4C27H38 (1)
Stoich.:	A2B4C27D38 (1)
Weight, g/mol:	408.148535
ΔH_f, kcal/mol:	-194.61
Dipole, Da:	5.95
IP(EA), eV:	-9.45(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-fluoro-N-[(6-oxo-7H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CC2CC3CC4C(CC3NC2=O)OCO4)C5CCCC5

DOS

IR

Vibrations