Geometry & MOs

Info

ID:	49481
PubChem CID:	11533089
Reduced:	ON5C30H33 (1)
Stoich.:	AB5C30D33 (1)
Weight, g/mol:	479.08445
ΔH_f, kcal/mol:	31.2
Dipole, Da:	2.53
IP(EA), eV:	-8.98(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(4-bromo-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]-N-(2-methylphenyl)pentanamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC(=C2C=C1)C3CCN(CC3)CCC4=C5CCC6=C(N=CN6C5=CC=C4)C(=O)NC

DOS

IR

Vibrations