Geometry & MOs

Info

ID:	336712
PubChem CID:	127255719
Reduced:	IOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	239.97859
ΔH_f, kcal/mol:	-14.47
Dipole, Da:	4.61
IP(EA), eV:	-9.39(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-methoxy-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CCC1=C(C=C2C(=C1)CCC2=O)I

DOS

IR

Vibrations