Geometry & MOs

Info

ID:	321538
PubChem CID:	126666544
Reduced:	ClON3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	384.169859
ΔH_f, kcal/mol:	7.28
Dipole, Da:	3.83
IP(EA), eV:	-9.3(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4R)-2-methyloxan-4-yl]-2-(pyrazin-2-ylmethyl)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)Cl

DOS

IR

Vibrations