Geometry & MOs

Info

ID:	141821
PubChem CID:	52933561
Reduced:	O2N6H22C23 (1)
Stoich.:	A2B6C22D23 (1)
Weight, g/mol:	438.13036
ΔH_f, kcal/mol:	29.93
Dipole, Da:	1.09
IP(EA), eV:	-8.61(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)C2=C(C=C3C(=C2)N=CC4=C3N(C(=O)N4)[C@H](C)C5=CC=CC=N5)OC

DOS

IR

Vibrations