Geometry & MOs

Info

ID:	405728
PubChem CID:	135075167
Reduced:	O5C12H18 (1)
Stoich.:	A5B12C18 (1)
Weight, g/mol:	288.099774
ΔH_f, kcal/mol:	-209.03
Dipole, Da:	1.97
IP(EA), eV:	-10.36(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-3-methoxy-3-oxoprop-1-enoxy]-5-phenylpent-2-ynoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1(CC1C=O)C(=O)OC(C)C

DOS

IR

Vibrations