Geometry & MOs

Info

ID:	147500
PubChem CID:	53787156
Reduced:	NO2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	518.09535
ΔH_f, kcal/mol:	-150.36
Dipole, Da:	7.16
IP(EA), eV:	-7.81(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)anilino]methylidene]-5-nitro-1H-indol-2-one

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)OC(C)(C)C(=O)OCC)C(=C1C3=CC=C(C=C3)NC(=O)C)C

DOS

IR

Vibrations