Geometry & MOs

Info

ID:	381601
PubChem CID:	134972389
Reduced:	O4H9C13 (2)
Stoich.:	A4B9C13 (2)
Weight, g/mol:	238.09938
ΔH_f, kcal/mol:	-276.41
Dipole, Da:	6.48
IP(EA), eV:	-10.13(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2aS,4aS)-2a-phenyl-2,4a-dihydro-1H-cyclobuta[c][1,2]benzodioxine

Drug info:

PubChemData

Smile

CC1=C2C3C4=C(C=CC(=C4C(C2=C(C=C1)C(=O)O)C5=C(C=CC(=C35)C(=O)O)C(=O)O)C)C(=O)O

DOS

IR

Vibrations