Geometry & MOs

Info

ID:	429822
PubChem CID:	135169875
Reduced:	ClOF3N9H13C22 (1)
Stoich.:	ABC3D9E13F22 (1)
Weight, g/mol:	275.123404
ΔH_f, kcal/mol:	24.38
Dipole, Da:	7.84
IP(EA), eV:	-9.72(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(5H-cyclopenta[b]pyridin-4-ylimino)-2-ethenyl-4,4-difluoropent-1-en-1-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=N2)C#N)C(=C1)N=C(/C(=C\N)/C(=O)NC3=CC(=C(N=C3)N4N=CC=N4)Cl)C(F)(F)F

DOS

IR

Vibrations