Geometry & MOs

Info

ID:	169204
PubChem CID:	75074875
Reduced:	O2N5C27H35 (1)
Stoich.:	A2B5C27D35 (1)
Weight, g/mol:	451.238353
ΔH_f, kcal/mol:	-44.77
Dipole, Da:	6.14
IP(EA), eV:	-8.79(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-(2-fluoroquinolin-3-yl)-1H-imidazol-2-yl]-7-oxooctyl]-1-methylazetidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)CCCCCC(C1=NC=C(N1)C2=CC3=CC=CC=C3N=C2)NC(=O)C4CCN(CC4)C

DOS

IR

Vibrations