Geometry & MOs

Info

ID:	382638
PubChem CID:	134973910
Reduced:	O5C21H36 (1)
Stoich.:	A5B21C36 (1)
Weight, g/mol:	308.137222
ΔH_f, kcal/mol:	-255.94
Dipole, Da:	3.31
IP(EA), eV:	-9.16(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-diazonio-8-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethoxy-1-oxoocta-2,6,7-trien-3-olate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](O[C@H]1CC(=O)OC)/C=C/[C@H](C)[C@H]2[C@H](C[C@@H](O2)C(C)OC)C

DOS

IR

Vibrations