Geometry & MOs

Info

ID:	327917
PubChem CID:	126691333
Reduced:	OF3N5H20C22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	388.237545
ΔH_f, kcal/mol:	-108.07
Dipole, Da:	3.68
IP(EA), eV:	-9.44(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-methyl-N-(methylideneamino)-N'-[3-(3-methylimidazo[4,5-f]quinolin-2-yl)propyl]-N-prop-1-en-2-ylbut-2-enimidamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C(F)(F)F)CC5=NC=NC=C5

DOS

IR

Vibrations