Geometry & MOs

Info

ID:	55804
PubChem CID:	17396581
Reduced:	F2O2N3H21C24 (1)
Stoich.:	A2B2C3D21E24 (1)
Weight, g/mol:	365.137556
ΔH_f, kcal/mol:	-98.17
Dipole, Da:	8.6
IP(EA), eV:	-9.26(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

CC(C1=NC(=O)C2=CC=CC=C2N1)NC(C3=CC=CC=C3)C4=CC=C(C=C4)OC(F)F

DOS

IR

Vibrations