Geometry & MOs

Info

ID:	66501
PubChem CID:	46504695
Reduced:	BrNOH18C19 (1)
Stoich.:	ABCD18E19 (1)
Weight, g/mol:	341.04153
ΔH_f, kcal/mol:	7.12
Dipole, Da:	0.67
IP(EA), eV:	-8.95(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-5-bromo-3-[(4-propan-2-ylphenyl)methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)/C=C\2/C3=C(C=CC(=C3)Br)NC2=O

DOS

IR

Vibrations