Geometry & MOs

Info

ID:	175806
PubChem CID:	75950058
Reduced:	FO2N5H18C24 (1)
Stoich.:	AB2C5D18E24 (1)
Weight, g/mol:	427.144453
ΔH_f, kcal/mol:	60.04
Dipole, Da:	8.48
IP(EA), eV:	-9.43(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2-fluorophenyl)-11-(4-methoxyphenyl)-8-oxa-12,13,14,15,17-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,13,15-hexaene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C3C(OC4=CC=CC=C4C3=NC5=NN=NN25)C6=CC(=CC=C6)F

DOS

IR

Vibrations