Geometry & MOs

Info

ID:	447804
PubChem CID:	135285873
Reduced:	ON4F5H23C24 (1)
Stoich.:	AB4C5D23E24 (1)
Weight, g/mol:	466.198046
ΔH_f, kcal/mol:	-226.21
Dipole, Da:	4.51
IP(EA), eV:	-9.5(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1C[C@]2(CC[C@H]1OC(F)F)CC3=C(C24N=CC(=N4)N)C=C(C=C3)C5=CC(=CN=C5)C(F)(F)F

DOS

IR

Vibrations