Geometry & MOs

Info

ID:	161896
PubChem CID:	57392985
Reduced:	ClN3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	406.119654
ΔH_f, kcal/mol:	49.35
Dipole, Da:	6.14
IP(EA), eV:	-8.55(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-cyclohexyl-2-(4-nitrophenyl)imidazo[4,5-g]quinoline

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NC3=C(N2)C=C4C=CC=NC4=C3Cl

DOS

IR

Vibrations