Geometry & MOs

Info

ID:	384848
PubChem CID:	134977797
Reduced:	OC17H26 (1)
Stoich.:	AB17C26 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-57.54
Dipole, Da:	1.38
IP(EA), eV:	-8.6(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-3,3-dimethylbut-1-enyl]-4-propan-2-yloxycyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC(C)(C)C(C1CCCC1)C2=CC=CC=C2OC

DOS

IR

Vibrations