Geometry & MOs

Info

ID:	449746
PubChem CID:	135301113
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	246.089209
ΔH_f, kcal/mol:	-93.07
Dipole, Da:	3.05
IP(EA), eV:	-9.03(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)OC)CC2CC2

DOS

IR

Vibrations