Geometry & MOs

Info

ID:	220951
PubChem CID:	85247941
Reduced:	OSN2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	69.34
Dipole, Da:	10.0
IP(EA), eV:	-7.85(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxynon-2-en-4-ynoxybenzene

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=N[N+]2=CC=CC=C2)[S-]

DOS

IR

Vibrations