Geometry & MOs

Info

ID:	17387
PubChem CID:	495313
Reduced:	O2C9H9 (2)
Stoich.:	A2B9C9 (2)
Weight, g/mol:	298.120509
ΔH_f, kcal/mol:	-98.46
Dipole, Da:	2.27
IP(EA), eV:	-8.83(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-methoxy-9,9-dimethyl-8-oxatetracyclo[8.6.0.02,7.011,16]hexadeca-2,4,6,13-tetraene-12,15-dione

Drug info:

PubChemData

Smile

CC1(C2C(C3C2C(=O)C=C(C3=O)OC)C4=CC=CC=C4O1)C

DOS

IR

Vibrations