Geometry & MOs

Info

ID:	398637
PubChem CID:	135034476
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	402.140199
ΔH_f, kcal/mol:	-94.09
Dipole, Da:	5.79
IP(EA), eV:	-9.67(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-ethenyl-5-(4-methylphenyl)sulfonyl-4a,6,11,11a-tetrahydroindolo[2,3-b]quinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NCCCC/C=C\C=O

DOS

IR

Vibrations