Geometry & MOs

Info

ID:	435363
PubChem CID:	135191286
Reduced:	F3O3N4H19C20 (1)
Stoich.:	A3B3C4D19E20 (1)
Weight, g/mol:	367.139287
ΔH_f, kcal/mol:	-224.34
Dipole, Da:	3.3
IP(EA), eV:	-9.71(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[6-amino-5-(methylamino)-2-pyrazol-1-ylpyrimidin-4-yl]-formylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

C1[C@H]2CN(CC2CC1C3=CC=CC=C3C(F)(F)F)C(=O)NC4=NC=CN=C4C(=O)O

DOS

IR

Vibrations