Geometry & MOs

Info

ID:	283206
PubChem CID:	103964128
Reduced:	O3N4H10C13 (1)
Stoich.:	A3B4C10D13 (1)
Weight, g/mol:	299.145619
ΔH_f, kcal/mol:	67.94
Dipole, Da:	6.27
IP(EA), eV:	-9.35(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-heptan-2-yl-3H-imidazo[4,5-c]quinoline-2-thione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(C=N2)[N+](=O)[O-])NCC3=NOC=C3

DOS

IR

Vibrations