Geometry & MOs

Info

ID:	447805
PubChem CID:	135285876
Reduced:	OF3N4H25C26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	202.155552
ΔH_f, kcal/mol:	-93.63
Dipole, Da:	5.28
IP(EA), eV:	-9.49(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1C[C@]2(CC[C@H]1OC)CC3=C([C@@]24N=CC(=N4)N)C=C(C=C3)C5=CC(=CC(=C5)C#N)C(F)(F)F

DOS

IR

Vibrations