Geometry & MOs

Info

ID:	26590
PubChem CID:	793053
Reduced:	O2S2N3C13H15 (1)
Stoich.:	A2B2C3D13E15 (1)
Weight, g/mol:	222.115698
ΔH_f, kcal/mol:	-64.73
Dipole, Da:	3.34
IP(EA), eV:	-8.79(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,5-dimethylpyrrol-1-yl)quinoline

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(N=C1SCC(=O)N)SC3=C2CCCC3

DOS

IR

Vibrations