Geometry & MOs

Info

ID:	191181
PubChem CID:	78115806
Reduced:	NOC12H13 (2)
Stoich.:	ABC12D13 (2)
Weight, g/mol:	304.121178
ΔH_f, kcal/mol:	-33.13
Dipole, Da:	2.19
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]propanal

Drug info:

PubChemData

Smile

CCCCCCC(C=O)C1(C2=CC=CC=C2NC1=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations