Geometry & MOs

Info

ID:	149130
PubChem CID:	53788802
Reduced:	O7C24H24 (1)
Stoich.:	A7B24C24 (1)
Weight, g/mol:	337.095023
ΔH_f, kcal/mol:	-222.96
Dipole, Da:	2.8
IP(EA), eV:	-8.54(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-methoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,9,11(15)-tetraen-6-one

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C(=C(C2=C1C=CC(=C2)OCCC3=CC=CC=C3)OC(=O)C)OC)OC

DOS

IR

Vibrations