Geometry & MOs

Info

ID:	146367
PubChem CID:	53677151
Reduced:	ON2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	456.05857
ΔH_f, kcal/mol:	12.68
Dipole, Da:	2.94
IP(EA), eV:	-9.67(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)-[4-(1H-imidazol-5-yl)anilino]methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC=CC=C1)NC(=O)C[N+]#[C-]

DOS

IR

Vibrations