Geometry & MOs

Info

ID:	397779
PubChem CID:	135030722
Reduced:	NO6C17H17 (1)
Stoich.:	AB6C17D17 (1)
Weight, g/mol:	653.98643
ΔH_f, kcal/mol:	-213.51
Dipole, Da:	4.02
IP(EA), eV:	-9.53(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8a-bromo-2-(3-bromo-4-oxochromen-2-yl)-1-phenyl-2a-[(E)-2-phenylethenyl]-1,2-dihydrocyclobuta[b]chromen-8-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(C1=O)(C3C=CC(=O)O3)O

DOS

IR

Vibrations