Geometry & MOs

Info

ID:	429669
PubChem CID:	135169719
Reduced:	OSF3N9H12C20 (1)
Stoich.:	ABC3D9E12F20 (1)
Weight, g/mol:	467.117839
ΔH_f, kcal/mol:	48.86
Dipole, Da:	10.7
IP(EA), eV:	-9.33(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-cyano-6-(triazol-2-yl)-1,2-dihydropyridin-3-yl]-1-imidazo[1,2-a]pyrazin-8-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CN=C(C2=C1SC=C2)N3C(=C(C=N3)C(NC4=CC(=C(N=C4)N5N=CC=N5)C#N)O)C(F)(F)F

DOS

IR

Vibrations