Geometry & MOs

Info

ID:	429847
PubChem CID:	135169900
Reduced:	FISN4H12C21 (1)
Stoich.:	ABCD4E12F21 (1)
Weight, g/mol:	451.088368
ΔH_f, kcal/mol:	111.87
Dipole, Da:	3.23
IP(EA), eV:	-9.11(-2.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,3Z)-2-(aminomethylidene)-3-(6-aminopyridin-2-yl)imino-N-[5-chloro-6-(triazol-2-yl)pyridin-3-yl]-4,4,4-trifluorobutanamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=C3C=C(C=C(C3=NC=C2)F)C4=CN(C5=C4C=CC=N5)SI

DOS

IR

Vibrations