Geometry & MOs

Info

ID:	405000
PubChem CID:	135072110
Reduced:	H16C17 (1)
Stoich.:	A16B17 (1)
Weight, g/mol:	246.089209
ΔH_f, kcal/mol:	66.84
Dipole, Da:	0.58
IP(EA), eV:	-8.82(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-4-yl] prop-2-ynoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C#CCCC2=CC=CC=C2

DOS

IR

Vibrations