Geometry & MOs

Info

ID:	308603
PubChem CID:	126497136
Reduced:	ClN2O2H23C28 (1)
Stoich.:	AB2C2D23E28 (1)
Weight, g/mol:	424.237545
ΔH_f, kcal/mol:	3.29
Dipole, Da:	2.69
IP(EA), eV:	-8.53(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-[1-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazin-2-yl]-4,5-dihydro-3aH-imidazo[1,2-a]quinoline

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(N1)C2C3=C(C=CC4=C3C=CC(=C4)O)OC5=C2C6=CC=CC=C6C=C5)Cl

DOS

IR

Vibrations