Geometry & MOs

Info

ID:	147145
PubChem CID:	53786798
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	236.04119
ΔH_f, kcal/mol:	-99.84
Dipole, Da:	3.97
IP(EA), eV:	-9.51(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-bromo-3-ethyl-3-methylpentanoate

Drug info:

PubChemData

Smile

CC(C(=CCCC(=O)C)C)OC

DOS

IR

Vibrations