Geometry & MOs

Info

ID:	216129
PubChem CID:	85085766
Reduced:	BrO2C9H11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	231.110673
ΔH_f, kcal/mol:	-72.86
Dipole, Da:	4.54
IP(EA), eV:	-10.03(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-ethyl-3-hydroxy-4-methyl-5-nitropent-4-enoate

Drug info:

PubChemData

Smile

C1CC(=O)C(C(=O)C1)CC=CBr

DOS

IR

Vibrations