Geometry & MOs

Info

ID:	438539
PubChem CID:	135228282
Reduced:	FON5C10H14 (1)
Stoich.:	ABC5D10E14 (1)
Weight, g/mol:	396.169859
ΔH_f, kcal/mol:	-10.05
Dipole, Da:	5.46
IP(EA), eV:	-8.39(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-methoxy-4-methyl-5-[(E)-2-phenylethenyl]-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),5,8,10,14,16-hexaene-9-carbonitrile

Drug info:

PubChemData

Smile

CC(/N=N\NC1=C(C=CC(=C1)F)N=CN)OC

DOS

IR

Vibrations