Geometry & MOs

Info

ID:	327848
PubChem CID:	126691157
Reduced:	OSN7H23C24 (1)
Stoich.:	ABC7D23E24 (1)
Weight, g/mol:	395.151288
ΔH_f, kcal/mol:	111.96
Dipole, Da:	5.06
IP(EA), eV:	-9.27(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(1-methylpyrazol-3-yl)methyl]imidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

CCC1=NN2C=C(N=C2S1)CC3=NC4=CN=C5C=CC(=CC5=C4N3[C@@H]6CCO[C@@H](C6)C)C#N

DOS

IR

Vibrations