Geometry & MOs

Info

ID:	392398
PubChem CID:	135015351
Reduced:	ON2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	225.091555
ΔH_f, kcal/mol:	-4.0
Dipole, Da:	5.54
IP(EA), eV:	-8.5(0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(E)-3-(7H-naphthalen-7-ylium-1-yl)prop-2-enyl] acetate

Drug info:

PubChemData

Smile

C1CC=C2[C@H](C1)COC(=C2C#N)N

DOS

IR

Vibrations