Geometry & MOs

Info

ID:	446555
PubChem CID:	135275970
Reduced:	OF3N3C11H12 (1)
Stoich.:	AB3C3D11E12 (1)
Weight, g/mol:	321.165269
ΔH_f, kcal/mol:	-153.54
Dipole, Da:	4.76
IP(EA), eV:	-9.66(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-amino-4,4-difluoro-2-methanimidoyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]but-2-enamide

Drug info:

PubChemData

Smile

CNC(C=N)NC(=O)C1=CC=CC=C1C(F)(F)F

DOS

IR

Vibrations