Geometry & MOs

Info

ID:	48540
PubChem CID:	11108077
Reduced:	O3C16H20 (1)
Stoich.:	A3B16C20 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-119.54
Dipole, Da:	3.26
IP(EA), eV:	-8.67(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-diazonio-5-(2-methoxyphenyl)-6-methylhept-2-en-3-olate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/1\CCCC2=C(C=CC(=C12)C)OC

DOS

IR

Vibrations