Geometry & MOs

Info

ID:	321655
PubChem CID:	126666741
Reduced:	N3O6C25H29 (1)
Stoich.:	A3B6C25D29 (1)
Weight, g/mol:	281.152812
ΔH_f, kcal/mol:	-103.56
Dipole, Da:	10.16
IP(EA), eV:	-8.66(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](CCO1)N(CC2=C(C=C(C=C2)OC)OC)C3=C4C=C(C=CC4=NC=C3[N+](=O)[O-])OC

DOS

IR

Vibrations