Geometry & MOs

Info

ID:	221046
PubChem CID:	85256606
Reduced:	ON3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	266.094294
ΔH_f, kcal/mol:	24.51
Dipole, Da:	6.06
IP(EA), eV:	-8.39(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-9,13,14-trioxatetracyclo[9.2.1.02,7.08,12]tetradeca-2,4,6-triene

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=C3CN(CN=C3)C)N2

DOS

IR

Vibrations