Geometry & MOs

Info

ID:	1878
PubChem CID:	5254
Reduced:	O5H22C25 (1)
Stoich.:	A5B22C25 (1)
Weight, g/mol:	402.146724
ΔH_f, kcal/mol:	-151.74
Dipole, Da:	8.89
IP(EA), eV:	-9.06(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione

Drug info:

PubChemData

Smile

CC1C(OC2=C(C1=O)C3=C(C(=CC(=O)O3)C4=CC=CC=C4)C5=C2C=CC(O5)(C)C)C

DOS

IR

Vibrations