Geometry & MOs

Info

ID:	406851
PubChem CID:	135078792
Reduced:	FO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	360.204907
ΔH_f, kcal/mol:	-102.33
Dipole, Da:	2.77
IP(EA), eV:	-10.33(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-diazonio-1-(2,4-dimethylpentan-3-yloxy)-6-(4-methoxyphenyl)-1-oxohex-2-en-3-olate

Drug info:

PubChemData

Smile

COC(=O)C(CCCC#C)C(=O)C1=CC=C(C=C1)F

DOS

IR

Vibrations