Geometry & MOs

Info

ID:	321710
PubChem CID:	126666841
Reduced:	ClFO4N6C19H20 (1)
Stoich.:	ABC4D6E19F20 (1)
Weight, g/mol:	294.122909
ΔH_f, kcal/mol:	-123.08
Dipole, Da:	6.8
IP(EA), eV:	-9.12(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(methoxymethyl)triazol-1-yl]methyl]-3H-imidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

CN(CC1=C(C=CC(=C1)Cl)F)C(=O)C2=C3C(=NN2)N=CN=C3N[C@@H]4COC[C@H]([C@H]4O)O

DOS

IR

Vibrations