Geometry & MOs

Info

ID:	216515
PubChem CID:	85086352
Reduced:	OC4H5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	276.136159
ΔH_f, kcal/mol:	-153.67
Dipole, Da:	2.04
IP(EA), eV:	-9.98(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-butoxy-8,11,15-trioxatetracyclo[7.4.1.110,13.02,7]pentadeca-2,4,6-triene

Drug info:

PubChemData

Smile

CC(=C)C(C1COC(O1)(C)C)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations