Geometry & MOs

Info

ID:	227742
PubChem CID:	87562368
Reduced:	BrO2N6C17H21 (1)
Stoich.:	AB2C6D17E21 (1)
Weight, g/mol:	572.12432
ΔH_f, kcal/mol:	-11.57
Dipole, Da:	2.81
IP(EA), eV:	-8.97(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-5-bromo-3-[[3-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC(=NC(=N1)N2CCN(CC2)C3=NC=CC=N3)Br

DOS

IR

Vibrations