Geometry & MOs

Info

ID:	327915
PubChem CID:	126691323
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	441.177645
ΔH_f, kcal/mol:	-12.14
Dipole, Da:	3.45
IP(EA), eV:	-8.9(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CNC1)N=C(/C(=C(/C2=CC=C(C=C2)OC3=CC=CC=C3)\N)/C(=O)N)N

DOS

IR

Vibrations