Geometry & MOs

Info

ID:	426863
PubChem CID:	135154204
Reduced:	ClSO2N4C17H17 (1)
Stoich.:	ABC2D4E17F17 (1)
Weight, g/mol:	371.186987
ΔH_f, kcal/mol:	-29.94
Dipole, Da:	9.79
IP(EA), eV:	-9.25(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[2-fluoro-4-methoxy-3-[4-(methylaminomethyl)pyrazol-1-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1C(CN1)C(=O)NCC2=CC=C(C=C2)C3=NC(=O)C4=C(N3)C=CS4.Cl

DOS

IR

Vibrations