Geometry & MOs

Info

ID:	389874
PubChem CID:	134995700
Reduced:	BrClOC9H10 (1)
Stoich.:	ABCD9E10 (1)
Weight, g/mol:	148.073559
ΔH_f, kcal/mol:	-38.33
Dipole, Da:	4.84
IP(EA), eV:	-9.17(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-hydroperoxybutanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)CCl)OC

DOS

IR

Vibrations