Geometry & MOs

Info

ID:	48539
PubChem CID:	11108076
Reduced:	O3C16H20 (1)
Stoich.:	A3B16C20 (1)
Weight, g/mol:	260.141245
ΔH_f, kcal/mol:	-101.65
Dipole, Da:	3.4
IP(EA), eV:	-9.61(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-(5-methoxy-8-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetate

Drug info:

PubChemData

Smile

COC1(CCCCC1)/C=C\OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations