Geometry & MOs

Info

ID:

445453

PubChem CID:

135267137

Reduced:

O3N5F7H30C37 (1)

Stoich.:

A3B5C7D30E37 (1)

Weight, g/mol:

272.050176

ΔHf, kcal/mol:

-312.32

Dipole, Da:

6.57

IP(EA), eV:

 -9.63(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z)-1-[(3Z)-4,4-difluoro-3-methylphosphanylimino-2-bicyclo[3.1.0]hexanylidene]-2,2,2-trifluoroethanamine

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=C(C=C1)C2=C3CNC(=O)C3=CC=C2)[C@H](CC4=CC(=CC(=C4)F)F)NC(=O)CN5C6=C([C@H]7CC[C@H]7C6(F)F)C(=N5)C(F)(F)F)O

DOS

IR

Vibrations