Geometry & MOs

Info

ID:	407042
PubChem CID:	135079206
Reduced:	O3C28H34 (1)
Stoich.:	A3B28C34 (1)
Weight, g/mol:	314.188195
ΔH_f, kcal/mol:	-69.16
Dipole, Da:	3.44
IP(EA), eV:	-8.83(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methylbut-2-enoxy)phenyl]but-3-yn-2-yl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)C(C)(C#C)OC(=O)C(C)(C)C)OC/C=C/C2=CC=CC=C2

DOS

IR

Vibrations