Geometry & MOs

Info

ID:	405562
PubChem CID:	135074464
Reduced:	O3C17H20 (1)
Stoich.:	A3B17C20 (1)
Weight, g/mol:	286.156895
ΔH_f, kcal/mol:	-31.12
Dipole, Da:	1.38
IP(EA), eV:	-8.81(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-but-3-ynoxy-3-[(E)-4-methoxybut-2-en-2-yl]oxyprop-1-enyl]benzene

Drug info:

PubChemData

Smile

COC/C=C/OC/C=C(\C1=CC=CC=C1)/OCCC#C

DOS

IR

Vibrations