Geometry & MOs

Info

ID:	321692
PubChem CID:	126666804
Reduced:	ON4H10C14 (1)
Stoich.:	AB4C10D14 (1)
Weight, g/mol:	334.154209
ΔH_f, kcal/mol:	92.7
Dipole, Da:	5.38
IP(EA), eV:	-8.92(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=N2)NC(=N3)CC4=NOC=C4

DOS

IR

Vibrations