Geometry & MOs

Info

ID:	13766
PubChem CID:	397976
Reduced:	BrNO3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	280.96876
ΔH_f, kcal/mol:	-73.25
Dipole, Da:	2.88
IP(EA), eV:	-9.32(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-bromo-2-oxo-1H-indol-3-ylidene)acetate

Drug info:

PubChemData

Smile

COC(=O)C=C1C2=C(C=CC(=C2)Br)NC1=O

DOS

IR

Vibrations