Geometry & MOs

Info

ID:	321714
PubChem CID:	126666846
Reduced:	ON4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	306.148061
ΔH_f, kcal/mol:	48.67
Dipole, Da:	4.93
IP(EA), eV:	-9.34(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(2-methyloxan-4-yl)imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations