Geometry & MOs

Info

ID:	400001
PubChem CID:	135044424
Reduced:	BrO4C9H11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	192.102454
ΔH_f, kcal/mol:	-114.91
Dipole, Da:	3.91
IP(EA), eV:	-9.2(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC=C(C(=O)C1(OC)OC)Br

DOS

IR

Vibrations