Geometry & MOs

Info

ID:	297588
PubChem CID:	117622437
Reduced:	ON4H12C16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	474.263091
ΔH_f, kcal/mol:	66.31
Dipole, Da:	2.34
IP(EA), eV:	-8.9(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-[5-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbaldehyde

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C3=CC=NN3C4=CC=CC=N4)NC1=O

DOS

IR

Vibrations