Geometry & MOs

Info

ID:	430208
PubChem CID:	135170271
Reduced:	O5C21H22 (1)
Stoich.:	A5B21C22 (1)
Weight, g/mol:	332.104859
ΔH_f, kcal/mol:	-132.23
Dipole, Da:	2.04
IP(EA), eV:	-8.7(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-propoxy-4-prop-1-ynylphenyl)-10-oxatricyclo[5.2.1.02,6]deca-1,6,8-triene-3,5-dione

Drug info:

PubChemData

Smile

CC#CC1=CC(=C(C=C1)C2C(=O)[C@@H]3[C@H](C2=O)C4[C@H](CC3O4)COC)OC

DOS

IR

Vibrations