Geometry & MOs

Info

ID:	327878
PubChem CID:	126691209
Reduced:	NC3H3 (7)
Stoich.:	AB3C3 (7)
Weight, g/mol:	429.121273
ΔH_f, kcal/mol:	126.48
Dipole, Da:	5.95
IP(EA), eV:	-8.68(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorocyclopentyl)-2-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

CC1=CN=C(C2=NC(=NN12)[C@H](C)CC3=NC4=C(N3C)C=CC5=C4C=CC=N5)C

DOS

IR

Vibrations