Geometry & MOs

Info

ID:	426992
PubChem CID:	135154902
Reduced:	ClSF3O4C10H10 (1)
Stoich.:	ABC3D4E10F10 (1)
Weight, g/mol:	310.154209
ΔH_f, kcal/mol:	-326.34
Dipole, Da:	3.76
IP(EA), eV:	-9.7(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(4-methoxy-3-pyrazol-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CS(=O)(=O)OCCC1=C(C=CC(=C1)Cl)OC(F)(F)F

DOS

IR

Vibrations