Geometry & MOs

Info

ID:	80554
PubChem CID:	49835109
Reduced:	FON8H15C17 (1)
Stoich.:	ABC8D15E17 (1)
Weight, g/mol:	328.139622
ΔH_f, kcal/mol:	44.34
Dipole, Da:	2.22
IP(EA), eV:	-8.17(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(6-amino-2-methylpyrimidin-4-yl)-5-(1H-pyrazol-5-ylamino)pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=NC(=N1)N)C2=C(N=C3N2C=C(C=C3)F)NC4=CN=C(C=C4)OC

DOS

IR

Vibrations