Geometry & MOs

Info

ID:	321628
PubChem CID:	126666698
Reduced:	O2N5C21H21 (1)
Stoich.:	A2B5C21D21 (1)
Weight, g/mol:	306.148061
ΔH_f, kcal/mol:	24.32
Dipole, Da:	3.86
IP(EA), eV:	-8.27(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=C2C4=C(C=CC(=C4)C#N)N=C3N5COC=C5)C

DOS

IR

Vibrations