Geometry & MOs

Info

ID:	321542
PubChem CID:	126666551
Reduced:	ClFN6H18C19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	407.151288
ΔH_f, kcal/mol:	59.31
Dipole, Da:	3.64
IP(EA), eV:	-9.49(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(6-methylpyrimidin-4-yl)methyl]imidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

CC1=CN(N=N1)CC2=NC3=CN=C4C=CC(=CC4=C3N2[C@@H]5CC[C@@H](C5)F)Cl

DOS

IR

Vibrations