Geometry & MOs

Info

ID:	428493
PubChem CID:	135167543
Reduced:	O4H12C19 (1)
Stoich.:	A4B12C19 (1)
Weight, g/mol:	290.057909
ΔH_f, kcal/mol:	-76.35
Dipole, Da:	1.53
IP(EA), eV:	-8.45(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8,14-trioxapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(13),2,4,9,11,15,17,19-octaen-21-one

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC3=CC4=C(C=C32)C(=O)C5=CC=CC=C5O4

DOS

IR

Vibrations