Geometry & MOs

Info

ID:	166110
PubChem CID:	74639339
Reduced:	FON5H18C23 (1)
Stoich.:	ABC5D18E23 (1)
Weight, g/mol:	433.110566
ΔH_f, kcal/mol:	98.0
Dipole, Da:	4.88
IP(EA), eV:	-8.72(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-11-(2-fluorophenyl)-9-phenyl-8-oxa-12,13,14,15,17-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,16-pentaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4O2)N=C5NNNN5C3C6=CC(=CC=C6)F

DOS

IR

Vibrations