Geometry & MOs

Info

ID:	399260
PubChem CID:	135039219
Reduced:	O5C14H20 (1)
Stoich.:	A5B14C20 (1)
Weight, g/mol:	280.097855
ΔH_f, kcal/mol:	-201.98
Dipole, Da:	2.19
IP(EA), eV:	-9.36(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloro-2-nitrohexan-3-yl)-1H-indole

Drug info:

PubChemData

Smile

C[C@@H]1C([C@@H]([C@@H]([C@H](O1)OC)OCC2=CC=CC=C2)O)O

DOS

IR

Vibrations