Geometry & MOs

Info

ID:	438256
PubChem CID:	135227984
Reduced:	N6H24C25 (1)
Stoich.:	A6B24C25 (1)
Weight, g/mol:	230.110693
ΔH_f, kcal/mol:	150.78
Dipole, Da:	6.79
IP(EA), eV:	-8.88(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]-phenylmethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations