Geometry & MOs

Info

ID:	297696
PubChem CID:	117626036
Reduced:	O2N5H27C28 (1)
Stoich.:	A2B5C27D28 (1)
Weight, g/mol:	479.200506
ΔH_f, kcal/mol:	25.47
Dipole, Da:	3.23
IP(EA), eV:	-9.05(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2S)-1-amino-4,4,4-trifluoro-1-oxobutan-2-yl]amino]-5-[(2-tert-butyl-7-methylindazol-5-yl)amino]-1,2,4-triazine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1N=CN=C2N3CCC4=C(C3)C=C(C=C4)C(=O)N5CCOCC5)C6=CN=CC=C6

DOS

IR

Vibrations