Geometry & MOs

Info

ID:	224003
PubChem CID:	85336792
Reduced:	O2N7C24H25 (1)
Stoich.:	A2B7C24D25 (1)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	45.74
Dipole, Da:	2.24
IP(EA), eV:	-9.28(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-hydroxyethyl)-3-[1-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]ethylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=NC3C(N2CC4=CC=CC=C4C#N)C(=O)NC(=O)N3CC5=CC=CC=C5

DOS

IR

Vibrations