Geometry & MOs

Info

ID:	327916
PubChem CID:	126691326
Reduced:	OF3N5H22C23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	427.161995
ΔH_f, kcal/mol:	-115.38
Dipole, Da:	5.5
IP(EA), eV:	-9.36(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4R)-2-methyloxan-4-yl]-2-(pyrimidin-4-ylmethyl)-8-(trifluoromethyl)imidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations