Geometry & MOs

Info

ID:	336662
PubChem CID:	127255669
Reduced:	BrNH8C10 (1)
Stoich.:	ABC8D10 (1)
Weight, g/mol:	269.98916
ΔH_f, kcal/mol:	45.64
Dipole, Da:	4.08
IP(EA), eV:	-9.84(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-4,5-dimethoxy-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1CC2=C(C1Br)C=CC(=C2)C#N

DOS

IR

Vibrations