Geometry & MOs

Info

ID:	321663
PubChem CID:	126666756
Reduced:	ClOSN4H19C20 (1)
Stoich.:	ABCD4E19F20 (1)
Weight, g/mol:	398.185509
ΔH_f, kcal/mol:	40.04
Dipole, Da:	4.76
IP(EA), eV:	-9.11(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]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)CC5=CSC=N5

DOS

IR

Vibrations