Geometry & MOs

Info

ID:	438258
PubChem CID:	135227986
Reduced:	N6H24C25 (1)
Stoich.:	A6B24C25 (1)
Weight, g/mol:	152.063743
ΔH_f, kcal/mol:	145.17
Dipole, Da:	6.18
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-triene-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(C2=CC=CC=N2)N3C=NC4=C3C=C(C=C4)C5=C(N=NN5C)C

DOS

IR

Vibrations