Geometry & MOs

Info

ID:	321694
PubChem CID:	126666807
Reduced:	F2O3N6C19H20 (1)
Stoich.:	A2B3C6D19E20 (1)
Weight, g/mol:	378.180424
ΔH_f, kcal/mol:	-133.17
Dipole, Da:	6.61
IP(EA), eV:	-9.04(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H]([C@@H]([C@@H](C1)O)O)NC2=NC=NC3=NNC(=C32)C(=O)NCC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations