Geometry & MOs

Info

ID:	393959
PubChem CID:	135022049
Reduced:	O3C11H22 (1)
Stoich.:	A3B11C22 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-159.71
Dipole, Da:	4.08
IP(EA), eV:	-10.21(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-diazonio-1-[(2R)-5-ethenyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]ethenolate

Drug info:

PubChemData

Smile

C[C@@H](CCCCC[C@@H]([C@H](C=C)O)O)O

DOS

IR

Vibrations