Geometry & MOs

Info

ID:	429629
PubChem CID:	135169678
Reduced:	OSF3N8H15C21 (1)
Stoich.:	ABC3D8E15F21 (1)
Weight, g/mol:	312.08341
ΔH_f, kcal/mol:	-6.55
Dipole, Da:	7.49
IP(EA), eV:	-9.38(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-4,4,4-trifluoro-3-(7-methylpyrazolo[1,5-a]pyridin-4-yl)iminobutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N2N=CC=N2)NC(=O)C3=C(N(N=C3)C4=C5C(=CC=C4)SC(=N5)C)C(F)(F)F

DOS

IR

Vibrations