Geometry & MOs

Info

ID:	407505
PubChem CID:	135080250
Reduced:	BrO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	203.082053
ΔH_f, kcal/mol:	-85.44
Dipole, Da:	3.03
IP(EA), eV:	-9.71(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(E)-3-ethoxy-3-oxoprop-1-enyl]benzenediazonium

Drug info:

PubChemData

Smile

CC(C)([C@]1(CCCC(=O)O1)C2=CC=CC=C2)Br

DOS

IR

Vibrations