Geometry & MOs

Info

ID:	321570
PubChem CID:	126666625
Reduced:	FOSN6H17C20 (1)
Stoich.:	ABCD6E17F20 (1)
Weight, g/mol:	288.112344
ΔH_f, kcal/mol:	63.47
Dipole, Da:	3.12
IP(EA), eV:	-9.3(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylpyrazol-1-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

C1COCCC1N2C(=NC3=CN=C4C=CC(=CC4=C32)F)CC5=CN6C(=N5)SC=N6

DOS

IR

Vibrations