Geometry & MOs

Info

ID:	321638
PubChem CID:	126666710
Reduced:	O2N5H19C21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	335.149458
ΔH_f, kcal/mol:	66.01
Dipole, Da:	1.94
IP(EA), eV:	-9.51(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CC5=NOC=C5

DOS

IR

Vibrations