Geometry & MOs

Info

ID:	59409
PubChem CID:	24855605
Reduced:	OSCl2F3N5H10C13 (1)
Stoich.:	ABC2D3E5F10G13 (1)
Weight, g/mol:	334.117824
ΔH_f, kcal/mol:	-151.85
Dipole, Da:	4.3
IP(EA), eV:	-8.87(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoate

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Cl)NC(=O)CC2=CSC(=N2)N=C(N)N)Cl)C(F)(F)F

DOS

IR

Vibrations