Geometry & MOs

Info

ID:	215984
PubChem CID:	85085539
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	208.088815
ΔH_f, kcal/mol:	-134.71
Dipole, Da:	1.7
IP(EA), eV:	-9.67(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxybut-3-en-1-ynyl)naphthalene

Drug info:

PubChemData

Smile

CC1=CCC2(C1CC(=O)CC2)C(=O)OC

DOS

IR

Vibrations