Geometry & MOs

Info

ID:	419446
PubChem CID:	135108192
Reduced:	SO2N4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	250.134223
ΔH_f, kcal/mol:	-70.81
Dipole, Da:	6.07
IP(EA), eV:	-8.81(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-N,4-N-dimethyl-2-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)SCC(=O)N2CCC(CC2)(CN3CCCC3)O

DOS

IR

Vibrations