Geometry & MOs

Info

ID:	126693
PubChem CID:	50973315
Reduced:	OSN4H14C16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	291.137162
ΔH_f, kcal/mol:	72.62
Dipole, Da:	7.96
IP(EA), eV:	-9.3(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-indol-1-ylpropan-2-yl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC=C(S2)C3CC(=O)N=C4C3=CNN4

DOS

IR

Vibrations