Geometry & MOs

Info

ID:	445424
PubChem CID:	135266968
Reduced:	ON3F5H8C11 (1)
Stoich.:	AB3C5D8E11 (1)
Weight, g/mol:	232.062361
ΔH_f, kcal/mol:	-206.32
Dipole, Da:	1.29
IP(EA), eV:	-10.38(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-10-(difluoromethyl)-6,6-difluoro-8-methyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-triene

Drug info:

PubChemData

Smile

C=C1[C@H]2[C@@H]1C(C3=C2C(=NN3CC(=O)N)C(F)(F)F)(F)F

DOS

IR

Vibrations