Geometry & MOs

Info

ID:	143595
PubChem CID:	53232579
Reduced:	Cl2N6C9H11 (1)
Stoich.:	A2B6C9D11 (1)
Weight, g/mol:	366.196823
ΔH_f, kcal/mol:	108.03
Dipole, Da:	4.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750025
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(cyclopropylamino)methyl]-3-methylpyrazol-1-yl]-N-(3,5-dimethylphenyl)-5-fluoropyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=NC2=C(N1C/C=C\CN)N=C(N=C2Cl)N.[Cl-]

DOS

IR

Vibrations