Geometry & MOs

Info

ID:	429623
PubChem CID:	135169672
Reduced:	BrON4H9C13 (1)
Stoich.:	ABC4D9E13 (1)
Weight, g/mol:	489.104018
ΔH_f, kcal/mol:	55.57
Dipole, Da:	4.39
IP(EA), eV:	-9.75(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,3Z)-2-(aminomethylidene)-N-[5-chloro-2-methyl-6-(triazol-2-yl)pyridin-3-yl]-4,4,4-trifluoro-3-imidazo[1,2-a]pyridin-5-yliminobutanamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC=N2)C(=C1)N3C(=C(C=N3)C(=O)N)Br

DOS

IR

Vibrations