Geometry & MOs

Info

ID:	230898
PubChem CID:	87572221
Reduced:	OF6N7H17C18 (1)
Stoich.:	AB6C7D17E18 (1)
Weight, g/mol:	261.019749
ΔH_f, kcal/mol:	-251.1
Dipole, Da:	7.13
IP(EA), eV:	-9.01(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1[C@@H]2C=C[C@H]1[C@@H]([C@@H]2C(=O)N)NC3=NC(=NC=C3C(F)(F)F)NC4=CN(N=C4)CC(F)(F)F

DOS

IR

Vibrations