Geometry & MOs

Info

ID:	321670
PubChem CID:	126666773
Reduced:	F3N5H10C15 (1)
Stoich.:	A3B5C10D15 (1)
Weight, g/mol:	384.169859
ΔH_f, kcal/mol:	-43.49
Dipole, Da:	3.51
IP(EA), eV:	-9.3(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-ylmethyl)-1-(oxan-4-yl)imidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=N2)NC(=N3)CN4C=C(C=N4)C(F)(F)F

DOS

IR

Vibrations