Geometry & MOs

Info

ID:	191180
PubChem CID:	78115805
Reduced:	ClO4N6C26H37 (1)
Stoich.:	AB4C6D26E37 (1)
Weight, g/mol:	374.199428
ΔH_f, kcal/mol:	-157.81
Dipole, Da:	3.51
IP(EA), eV:	-8.66(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1H-indol-3-yl)-2-oxo-1H-indol-3-yl]octanal

Drug info:

PubChemData

Smile

CC1CC(C(C2C1NNC2)Cl)CC(C(=O)OC)NC(=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O

DOS

IR

Vibrations